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

C13H21BrN4O — CID 119536441

IUPAC4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCCC2CCNC2)c1Br
InChIInChI=1S/C13H21BrN4O/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)
InChIKeyYLHHDWLBIZMQRV-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.03
Rot. Bonds5

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

4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 119536441) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID119536441
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCCC2CCNC2)c1Br
InChIInChI=1S/C13H21BrN4O/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)
InChIKeyYLHHDWLBIZMQRV-UHFFFAOYSA-N
XLogP2.03
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.03
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;hydrochloride
CID 119536440
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-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 112701317
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide
CID 63628731
3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 113460894
4-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564397
4-bromo-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
CID 55249969
2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534841
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63622674
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide (CID 119536441) is 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NCCC2CCNC2)c1Br.
What is the InChIKey of 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is YLHHDWLBIZMQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/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).
What are the key properties of 4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide?
4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 2.03, 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 is sourced from PubChem (CID 119536441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).