N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide

C20H29N7O — CID 111077121

IUPACN-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
SMILESCCN1CCCC1CN/C(N)=N/Cc1cccc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C20H29N7O/c1-2-26-10-4-8-18(26)14-23-20(21)22-13-16-6-3-7-17(12-16)25-19(28)15-27-11-5-9-24-27/h3,5-7,9,11-12,18H,2,4,8,10,13-15H2,1H3,(H,25,28)(H3,21,22,23)
InChIKeyDODDGFZEUFZYQX-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.41
Rot. Bonds8

About N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide

N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide (PubChem CID 111077121) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
PubChem CID111077121
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC NameN-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
SMILESCCN1CCCC1CN/C(N)=N/Cc1cccc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C20H29N7O/c1-2-26-10-4-8-18(26)14-23-20(21)22-13-16-6-3-7-17(12-16)25-19(28)15-27-11-5-9-24-27/h3,5-7,9,11-12,18H,2,4,8,10,13-15H2,1H3,(H,25,28)(H3,21,22,23)
InChIKeyDODDGFZEUFZYQX-UHFFFAOYSA-N
XLogP1.41
TPSA100.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111046784
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(3-fluorophenyl)methyl]guanidine
CID 111044154
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(3-fluorophenyl)methyl]guanidine;hydroiodide
CID 111044153
1-[[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 111803805
N-[3-[[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]butanamide
CID 111260929
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111051550
N-[3-[[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide;hydroiodide
CID 111077114
N-[2-[[N-ethyl-N'-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927706
methyl N-[4-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]carbamate
CID 111066315
2-[(3-butoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111049533
1-[4-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-3-propan-2-ylurea
CID 111067284
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111048087

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide (CID 111077121) is N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide is CCN1CCCC1CN/C(N)=N/Cc1cccc(NC(=O)Cn2cccn2)c1.
What is the InChIKey of N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide?
The InChIKey is DODDGFZEUFZYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-2-26-10-4-8-18(26)14-23-20(21)22-13-16-6-3-7-17(12-16)25-19(28)15-27-11-5-9-24-27/h3,5-7,9,11-12,18H,2,4,8,10,13-15H2,1H3,(H,25,28)(H3,21,22,23).
What are the key properties of N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide?
N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide has a molecular weight of 383.50 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 111077121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).