1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride

C8H13ClN4O — CID 165469821

IUPAC1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cn[nH]c2)CCC1
InChIInChI=1S/C8H12N4O.ClH/c9-8(2-1-3-8)7(13)12-6-4-10-11-5-6;/h4-5H,1-3,9H2,(H,10,11)(H,12,13);1H
InChIKeyBWIYYINPYHXUBK-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.65
Rot. Bonds2

About 1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride

1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride (PubChem CID 165469821) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride
PubChem CID165469821
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cn[nH]c2)CCC1
InChIInChI=1S/C8H12N4O.ClH/c9-8(2-1-3-8)7(13)12-6-4-10-11-5-6;/h4-5H,1-3,9H2,(H,10,11)(H,12,13);1H
InChIKeyBWIYYINPYHXUBK-UHFFFAOYSA-N
XLogP0.65
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006229
N-(1H-pyrazol-4-yl)cyclohexanecarboxamide
CID 43429406
2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 79796623
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 81179351
4,4-difluoro-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 120348369
2-amino-3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide;hydrochloride
CID 121624236
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)butanamide
CID 126793655
trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 126793656
3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide
CID 126795469
2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide
CID 127000229
(2R)-3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide
CID 129487787

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride (CID 165469821) is 1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2cn[nH]c2)CCC1.
What is the InChIKey of 1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride?
The InChIKey is BWIYYINPYHXUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O.ClH/c9-8(2-1-3-8)7(13)12-6-4-10-11-5-6;/h4-5H,1-3,9H2,(H,10,11)(H,12,13);1H.
What are the key properties of 1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride?
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 165469821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).