1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

C8H12N4O — CID 80588422

IUPAC1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C8H12N4O/c9-5-8(1-2-8)7(13)12-6-3-10-11-4-6/h3-4H,1-2,5,9H2,(H,10,11)(H,12,13)
InChIKeyVOXUOUOJBUVQEP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.09
Rot. Bonds3

About 1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 80588422) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID80588422
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C8H12N4O/c9-5-8(1-2-8)7(13)12-6-3-10-11-4-6/h3-4H,1-2,5,9H2,(H,10,11)(H,12,13)
InChIKeyVOXUOUOJBUVQEP-UHFFFAOYSA-N
XLogP0.09
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide 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

1-(aminomethyl)-3-methyl-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 80588316
1-methyl-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 130688568
1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 80589522
3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63138545
1-(1H-pyrazol-4-ylcarbamoyl)cycloheptane-1-carboxylic acid
CID 138033225
1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
CID 80588239
1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide
CID 107588384
3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 131020629
3-methyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide;hydrochloride
CID 119944674
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide
CID 115453472

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (CID 80588422) is 1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is NCC1(C(=O)Nc2cn[nH]c2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is VOXUOUOJBUVQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-5-8(1-2-8)7(13)12-6-3-10-11-4-6/h3-4H,1-2,5,9H2,(H,10,11)(H,12,13).
What are the key properties of 1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80588422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).