N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide

C16H22BrN3O — CID 75262929

IUPACN-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1CC(C2CC2)NN1
InChIInChI=1S/C16H22BrN3O/c1-10(8-11-2-6-13(17)7-3-11)18-16(21)15-9-14(19-20-15)12-4-5-12/h2-3,6-7,10,12,14-15,19-20H,4-5,8-9H2,1H3,(H,18,21)
InChIKeyRALJGFHGVPVCIM-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.14
Rot. Bonds5

About N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide

N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide (PubChem CID 75262929) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide
PubChem CID75262929
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1CC(C2CC2)NN1
InChIInChI=1S/C16H22BrN3O/c1-10(8-11-2-6-13(17)7-3-11)18-16(21)15-9-14(19-20-15)12-4-5-12/h2-3,6-7,10,12,14-15,19-20H,4-5,8-9H2,1H3,(H,18,21)
InChIKeyRALJGFHGVPVCIM-UHFFFAOYSA-N
XLogP2.14
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645
2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975257
2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54867930
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119734902
3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119734872
5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
CID 75666383
N-[2-[1-(4-bromophenyl)propan-2-ylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 47288217
(2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
CID 120925805
3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride
CID 119295652
5-cyclopropyl-N-[[4-(methanesulfonamido)phenyl]methyl]pyrazolidine-3-carboxamide
CID 75613401
5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 3051644

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide (CID 75262929) is N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide is CC(Cc1ccc(Br)cc1)NC(=O)C1CC(C2CC2)NN1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide?
The InChIKey is RALJGFHGVPVCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-10(8-11-2-6-13(17)7-3-11)18-16(21)15-9-14(19-20-15)12-4-5-12/h2-3,6-7,10,12,14-15,19-20H,4-5,8-9H2,1H3,(H,18,21).
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide?
N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75262929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).