4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride

C17H21BrClFN4O — CID 119532306

IUPAC4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CCNC1.Cl
InChIInChI=1S/C17H20BrFN4O.ClH/c1-2-9-22(14-7-8-20-10-14)17(24)16-15(18)11-23(21-16)13-5-3-12(19)4-6-13;/h3-6,11,14,20H,2,7-10H2,1H3;1H
InChIKeyADRUNJPGTMFUTE-UHFFFAOYSA-N
MW431.74 g/mol
LogP3.41
Rot. Bonds5

About 4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride

4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119532306) has the molecular formula C17H21BrClFN4O and a molecular weight of 431.74 g/mol. Its IUPAC name is 4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
PubChem CID119532306
Molecular FormulaC17H21BrClFN4O
Molecular Weight431.74 g/mol
Exact Mass430.06
IUPAC Name4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CCNC1.Cl
InChIInChI=1S/C17H20BrFN4O.ClH/c1-2-9-22(14-7-8-20-10-14)17(24)16-15(18)11-23(21-16)13-5-3-12(19)4-6-13;/h3-6,11,14,20H,2,7-10H2,1H3;1H
InChIKeyADRUNJPGTMFUTE-UHFFFAOYSA-N
XLogP3.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119530408
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
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CID 119529789
N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
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2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119529790
N-propyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610258
5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119531290
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 119824042
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride (CID 119532306) is 4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride is CCCN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CCNC1.Cl.
What is the InChIKey of 4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is ADRUNJPGTMFUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN4O.ClH/c1-2-9-22(14-7-8-20-10-14)17(24)16-15(18)11-23(21-16)13-5-3-12(19)4-6-13;/h3-6,11,14,20H,2,7-10H2,1H3;1H.
What are the key properties of 4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 431.74 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119532306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).