3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C17H21ClN4O — CID 119707776

IUPAC3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C17H20N4O.ClH/c18-16-12-5-4-11(8-12)15(16)17(22)20-13-3-1-2-10(9-13)14-6-7-19-21-14;/h1-3,6-7,9,11-12,15-16H,4-5,8,18H2,(H,19,21)(H,20,22);1H
InChIKeyDWHIBHBQSVWICT-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.81
Rot. Bonds3

About 3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119707776) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119707776
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C17H20N4O.ClH/c18-16-12-5-4-11(8-12)15(16)17(22)20-13-3-1-2-10(9-13)14-6-7-19-21-14;/h1-3,6-7,9,11-12,15-16H,4-5,8,18H2,(H,19,21)(H,20,22);1H
InChIKeyDWHIBHBQSVWICT-UHFFFAOYSA-N
XLogP2.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119707800
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CID 119832843
3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702041
3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119884835
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CID 64563413
2-cyclopropyl-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 37044565
3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
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N-[3-(1H-pyrazol-5-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43711254
3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119723456
3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119819374
2-amino-2-(oxan-4-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide;hydrochloride
CID 120785975
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119707776) is 3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is DWHIBHBQSVWICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O.ClH/c18-16-12-5-4-11(8-12)15(16)17(22)20-13-3-1-2-10(9-13)14-6-7-19-21-14;/h1-3,6-7,9,11-12,15-16H,4-5,8,18H2,(H,19,21)(H,20,22);1H.
What are the key properties of 3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 332.84 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119707776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).