N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide

C11H19IN6O — CID 110017703

IUPACN-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide
SMILESC/N=C(\NCCNC(=O)c1ccn[nH]1)NC1CC1.I
InChIInChI=1S/C11H18N6O.HI/c1-12-11(16-8-2-3-8)14-7-6-13-10(18)9-4-5-15-17-9;/h4-5,8H,2-3,6-7H2,1H3,(H,13,18)(H,15,17)(H2,12,14,16);1H
InChIKeyLWSGZXLBCPCGJH-UHFFFAOYSA-N
MW378.22 g/mol
LogP0.08
Rot. Bonds5

About N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide

N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide (PubChem CID 110017703) has the molecular formula C11H19IN6O and a molecular weight of 378.22 g/mol. Its IUPAC name is N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide
PubChem CID110017703
Molecular FormulaC11H19IN6O
Molecular Weight378.22 g/mol
Exact Mass378.07
IUPAC NameN-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide
SMILESC/N=C(\NCCNC(=O)c1ccn[nH]1)NC1CC1.I
InChIInChI=1S/C11H18N6O.HI/c1-12-11(16-8-2-3-8)14-7-6-13-10(18)9-4-5-15-17-9;/h4-5,8H,2-3,6-7H2,1H3,(H,13,18)(H,15,17)(H2,12,14,16);1H
InChIKeyLWSGZXLBCPCGJH-UHFFFAOYSA-N
XLogP0.08
TPSA94.20 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide 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-[4-(propylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 63085249
2-chloro-N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide
CID 110934653
4-bromo-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide
CID 110959290
N-[2-(cyclohex-3-ene-1-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 167920644
N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide
CID 110017698
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64546063
methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid
CID 153412370
1-cyclopropyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110933648
N-[2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 110990591
2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide
CID 110958235
N-[2-[[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 99782382
N-[2-[[N'-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111316939

Frequently Asked Questions

What is the IUPAC name of N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide?
The IUPAC name of N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide (CID 110017703) is N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide is C/N=C(\NCCNC(=O)c1ccn[nH]1)NC1CC1.I.
What is the InChIKey of N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide?
The InChIKey is LWSGZXLBCPCGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O.HI/c1-12-11(16-8-2-3-8)14-7-6-13-10(18)9-4-5-15-17-9;/h4-5,8H,2-3,6-7H2,1H3,(H,13,18)(H,15,17)(H2,12,14,16);1H.
What are the key properties of N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide?
N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide has a molecular weight of 378.22 g/mol, XLogP of 0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethyl]-1H-pyrazole-5-carboxamide;hydroiodide is sourced from PubChem (CID 110017703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).