N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide

C15H18BrN3O — CID 97087813

IUPACN-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide
SMILESC[C@@H](Cc1ccccc1Br)NC(=O)CCn1cccn1
InChIInChI=1S/C15H18BrN3O/c1-12(11-13-5-2-3-6-14(13)16)18-15(20)7-10-19-9-4-8-17-19/h2-6,8-9,12H,7,10-11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyXCLGRYFSCLKYMK-LBPRGKRZSA-N
MW336.23 g/mol
LogP2.78
Rot. Bonds6

About N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide

N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide (PubChem CID 97087813) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide
PubChem CID97087813
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide
SMILESC[C@@H](Cc1ccccc1Br)NC(=O)CCn1cccn1
InChIInChI=1S/C15H18BrN3O/c1-12(11-13-5-2-3-6-14(13)16)18-15(20)7-10-19-9-4-8-17-19/h2-6,8-9,12H,7,10-11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyXCLGRYFSCLKYMK-LBPRGKRZSA-N
XLogP2.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
CID 82854624
2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid
CID 65285915
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 86979952
N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
CID 114390009
3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036
2-[acetyl(methyl)amino]-N-[(2R)-1-(2-bromophenyl)propan-2-yl]acetamide
CID 97087816
N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
CID 92707865
N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide
CID 100662600
propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 94194144
(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 28788895
(2S)-3-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 61172899
methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate
CID 43623190

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide (CID 97087813) is N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide is C[C@@H](Cc1ccccc1Br)NC(=O)CCn1cccn1.
What is the InChIKey of N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide?
The InChIKey is XCLGRYFSCLKYMK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-12(11-13-5-2-3-6-14(13)16)18-15(20)7-10-19-9-4-8-17-19/h2-6,8-9,12H,7,10-11H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide?
N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide has a molecular weight of 336.23 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 97087813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).