N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride

C18H22BrClN4O — CID 119457050

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CC3CCC(C2)N3)cnn1-c1ccc(Br)cc1.Cl
InChIInChI=1S/C18H21BrN4O.ClH/c1-11-17(10-20-23(11)16-6-2-12(19)3-7-16)18(24)22-15-8-13-4-5-14(9-15)21-13;/h2-3,6-7,10,13-15,21H,4-5,8-9H2,1H3,(H,22,24);1H
InChIKeyAQGRQVACSZWZBB-UHFFFAOYSA-N
MW425.76 g/mol
LogP3.38
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119457050) has the molecular formula C18H22BrClN4O and a molecular weight of 425.76 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
PubChem CID119457050
Molecular FormulaC18H22BrClN4O
Molecular Weight425.76 g/mol
Exact Mass424.07
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CC3CCC(C2)N3)cnn1-c1ccc(Br)cc1.Cl
InChIInChI=1S/C18H21BrN4O.ClH/c1-11-17(10-20-23(11)16-6-2-12(19)3-7-16)18(24)22-15-8-13-4-5-14(9-15)21-13;/h2-3,6-7,10,13-15,21H,4-5,8-9H2,1H3,(H,22,24);1H
InChIKeyAQGRQVACSZWZBB-UHFFFAOYSA-N
XLogP3.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.76
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

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tert-butyl 4-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
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1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride (CID 119457050) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC2CC3CCC(C2)N3)cnn1-c1ccc(Br)cc1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is AQGRQVACSZWZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O.ClH/c1-11-17(10-20-23(11)16-6-2-12(19)3-7-16)18(24)22-15-8-13-4-5-14(9-15)21-13;/h2-3,6-7,10,13-15,21H,4-5,8-9H2,1H3,(H,22,24);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 425.76 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119457050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).