1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride

C14H17ClN4O — CID 119715469

IUPAC1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(Cn3cccn3)cc2)CC1
InChIInChI=1S/C14H16N4O.ClH/c15-14(6-7-14)13(19)17-12-4-2-11(3-5-12)10-18-9-1-8-16-18;/h1-5,8-9H,6-7,10,15H2,(H,17,19);1H
InChIKeyUBDIZYIBMWMLCI-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.78
Rot. Bonds4

About 1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119715469) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119715469
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(Cn3cccn3)cc2)CC1
InChIInChI=1S/C14H16N4O.ClH/c15-14(6-7-14)13(19)17-12-4-2-11(3-5-12)10-18-9-1-8-16-18;/h1-5,8-9H,6-7,10,15H2,(H,17,19);1H
InChIKeyUBDIZYIBMWMLCI-UHFFFAOYSA-N
XLogP1.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715476
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 79804775
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301019
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
4-oxo-4-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 60933846
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 60933639
5-hydroxy-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 79199425
(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 104902970

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 119715469) is 1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2ccc(Cn3cccn3)cc2)CC1.
What is the InChIKey of 1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is UBDIZYIBMWMLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O.ClH/c15-14(6-7-14)13(19)17-12-4-2-11(3-5-12)10-18-9-1-8-16-18;/h1-5,8-9H,6-7,10,15H2,(H,17,19);1H.
What are the key properties of 1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119715469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).