N-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide

C19H26N4O — CID 95341643

IUPACN-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
SMILESC[C@H]([C@@H](C)NCC(=O)NCC1(c2ccccc2)CC1)n1cccn1
InChIInChI=1S/C19H26N4O/c1-15(16(2)23-12-6-11-22-23)20-13-18(24)21-14-19(9-10-19)17-7-4-3-5-8-17/h3-8,11-12,15-16,20H,9-10,13-14H2,1-2H3,(H,21,24)/t15-,16-/m1/s1
InChIKeyHSGBTUNMTCNNGC-HZPDHXFCSA-N
MW326.44 g/mol
LogP2.27
Rot. Bonds8

About N-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide

N-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide (PubChem CID 95341643) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
PubChem CID95341643
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
SMILESC[C@H]([C@@H](C)NCC(=O)NCC1(c2ccccc2)CC1)n1cccn1
InChIInChI=1S/C19H26N4O/c1-15(16(2)23-12-6-11-22-23)20-13-18(24)21-14-19(9-10-19)17-7-4-3-5-8-17/h3-8,11-12,15-16,20H,9-10,13-14H2,1-2H3,(H,21,24)/t15-,16-/m1/s1
InChIKeyHSGBTUNMTCNNGC-HZPDHXFCSA-N
XLogP2.27
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide 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

2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95325251
2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide
CID 95345808
2-[1-(4-ethylphenyl)ethylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 112810943
N-ethyl-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
CID 95613902
N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 95759523
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone
CID 97005373
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone
CID 97005374
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135
(2R,3S)-N-(2-phenylethyl)-3-pyrazol-1-ylbutan-2-amine
CID 95346375
N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]-2-phenylacetamide
CID 42145846
(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 94117739

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide (CID 95341643) is N-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide is C[C@H]([C@@H](C)NCC(=O)NCC1(c2ccccc2)CC1)n1cccn1.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
The InChIKey is HSGBTUNMTCNNGC-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(16(2)23-12-6-11-22-23)20-13-18(24)21-14-19(9-10-19)17-7-4-3-5-8-17/h3-8,11-12,15-16,20H,9-10,13-14H2,1-2H3,(H,21,24)/t15-,16-/m1/s1.
What are the key properties of N-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
N-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide is sourced from PubChem (CID 95341643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).