4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride

C13H22BrClN4O — CID 119536440

IUPAC4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1[nH]nc(C(=O)NCCC2CCNC2)c1Br.Cl
InChIInChI=1S/C13H21BrN4O.ClH/c1-8(2)11-10(14)12(18-17-11)13(19)16-6-4-9-3-5-15-7-9;/h8-9,15H,3-7H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyMYLXWJGABSXZCJ-UHFFFAOYSA-N
MW365.70 g/mol
LogP2.45
Rot. Bonds5

About 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride

4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119536440) has the molecular formula C13H22BrClN4O and a molecular weight of 365.70 g/mol. Its IUPAC name is 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119536440
Molecular FormulaC13H22BrClN4O
Molecular Weight365.70 g/mol
Exact Mass364.07
IUPAC Name4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1[nH]nc(C(=O)NCCC2CCNC2)c1Br.Cl
InChIInChI=1S/C13H21BrN4O.ClH/c1-8(2)11-10(14)12(18-17-11)13(19)16-6-4-9-3-5-15-7-9;/h8-9,15H,3-7H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyMYLXWJGABSXZCJ-UHFFFAOYSA-N
XLogP2.45
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.70
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide
CID 119536441
4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
CID 119452554
2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155
2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534841
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CID 112701317
3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 113460894
3-bromo-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119536297
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide
CID 63628731
2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119536966
4-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564397
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride (CID 119536440) is 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride is CC(C)c1[nH]nc(C(=O)NCCC2CCNC2)c1Br.Cl.
What is the InChIKey of 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is MYLXWJGABSXZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O.ClH/c1-8(2)11-10(14)12(18-17-11)13(19)16-6-4-9-3-5-15-7-9;/h8-9,15H,3-7H2,1-2H3,(H,16,19)(H,17,18);1H.
What are the key properties of 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 365.70 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119536440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).