9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C19H24Cl2N4O — CID 120993023

IUPAC9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)Nc1ccn(-c3ccccc3Cl)n1)C2
InChIInChI=1S/C19H23ClN4O.ClH/c20-15-6-1-2-7-16(15)24-9-8-17(23-24)22-19(25)14-10-12-4-3-5-13(11-14)18(12)21;/h1-2,6-9,12-14,18H,3-5,10-11,21H2,(H,22,23,25);1H
InChIKeyJPGTXHIQIWPNSZ-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.04
Rot. Bonds3

About 9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120993023) has the molecular formula C19H24Cl2N4O and a molecular weight of 395.33 g/mol. Its IUPAC name is 9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120993023
Molecular FormulaC19H24Cl2N4O
Molecular Weight395.33 g/mol
Exact Mass394.13
IUPAC Name9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)Nc1ccn(-c3ccccc3Cl)n1)C2
InChIInChI=1S/C19H23ClN4O.ClH/c20-15-6-1-2-7-16(15)24-9-8-17(23-24)22-19(25)14-10-12-4-3-5-13(11-14)18(12)21;/h1-2,6-9,12-14,18H,3-5,10-11,21H2,(H,22,23,25);1H
InChIKeyJPGTXHIQIWPNSZ-UHFFFAOYSA-N
XLogP4.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989687
9-amino-N-(1-benzyl-2-oxo-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992316
9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987708
N-[1-(2-chlorophenyl)pyrazol-3-yl]-2-[(2R,4S)-2-(hydroxymethyl)piperidin-4-yl]acetamide
CID 70889256
9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986638
9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993419
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016655
9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988953
9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988251
9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985577
9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984788
2-[(7S,8aR)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]-N-[1-(2-chlorophenyl)pyrazol-3-yl]acetamide
CID 58442875

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120993023) is 9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)Nc1ccn(-c3ccccc3Cl)n1)C2.
What is the InChIKey of 9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is JPGTXHIQIWPNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O.ClH/c20-15-6-1-2-7-16(15)24-9-8-17(23-24)22-19(25)14-10-12-4-3-5-13(11-14)18(12)21;/h1-2,6-9,12-14,18H,3-5,10-11,21H2,(H,22,23,25);1H.
What are the key properties of 9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 395.33 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120993023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).