N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide

C15H18BrN3O2 — CID 138993451

IUPACN-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC[C@@H](O)c2cccc(Br)c2)n[nH]1
InChIInChI=1S/C15H18BrN3O2/c1-2-4-12-8-13(19-18-12)15(21)17-9-14(20)10-5-3-6-11(16)7-10/h3,5-8,14,20H,2,4,9H2,1H3,(H,17,21)(H,18,19)/t14-/m1/s1
InChIKeyMTYGYBDGJVFFIW-CQSZACIVSA-N
MW352.23 g/mol
LogP2.59
Rot. Bonds6

About N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 138993451) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID138993451
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC NameN-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC[C@@H](O)c2cccc(Br)c2)n[nH]1
InChIInChI=1S/C15H18BrN3O2/c1-2-4-12-8-13(19-18-12)15(21)17-9-14(20)10-5-3-6-11(16)7-10/h3,5-8,14,20H,2,4,9H2,1H3,(H,17,21)(H,18,19)/t14-/m1/s1
InChIKeyMTYGYBDGJVFFIW-CQSZACIVSA-N
XLogP2.59
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97118692
N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
methyl 5-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 100739343
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55717161
N-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
CID 91800628
N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55969246
3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 115596365
N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 36709127
N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97122450
N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 46996324
N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 32535295

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 138993451) is N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NC[C@@H](O)c2cccc(Br)c2)n[nH]1.
What is the InChIKey of N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is MTYGYBDGJVFFIW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-2-4-12-8-13(19-18-12)15(21)17-9-14(20)10-5-3-6-11(16)7-10/h3,5-8,14,20H,2,4,9H2,1H3,(H,17,21)(H,18,19)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 352.23 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 138993451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).