3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C17H20Cl2N4O — CID 119771619

IUPAC3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C17H19ClN4O.ClH/c18-13-9-12(4-5-14(13)22-7-1-6-20-22)21-17(23)15-10-2-3-11(8-10)16(15)19;/h1,4-7,9-11,15-16H,2-3,8,19H2,(H,21,23);1H
InChIKeyYPSUCWNCVPVADK-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.26
Rot. Bonds3

About 3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119771619) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119771619
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C17H19ClN4O.ClH/c18-13-9-12(4-5-14(13)22-7-1-6-20-22)21-17(23)15-10-2-3-11(8-10)16(15)19;/h1,4-7,9-11,15-16H,2-3,8,19H2,(H,21,23);1H
InChIKeyYPSUCWNCVPVADK-UHFFFAOYSA-N
XLogP3.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119832843
3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119680372
(2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930805
3-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119718964
3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119707776
1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122078984
3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119781657
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702824
3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702041
3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide
CID 119859342

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119771619) is 3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1.
What is the InChIKey of 3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is YPSUCWNCVPVADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O.ClH/c18-13-9-12(4-5-14(13)22-7-1-6-20-22)21-17(23)15-10-2-3-11(8-10)16(15)19;/h1,4-7,9-11,15-16H,2-3,8,19H2,(H,21,23);1H.
What are the key properties of 3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 367.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119771619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).