N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide

C15H23N5O — CID 94612533

IUPACN-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@H](Cn2ccnc2)C(C)C)n[nH]1
InChIInChI=1S/C15H23N5O/c1-4-5-12-8-13(19-18-12)15(21)17-14(11(2)3)9-20-7-6-16-10-20/h6-8,10-11,14H,4-5,9H2,1-3H3,(H,17,21)(H,18,19)/t14-/m1/s1
InChIKeyBAPSMJLWHKKILR-CQSZACIVSA-N
MW289.38 g/mol
LogP2.01
Rot. Bonds7

About N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide

N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 94612533) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID94612533
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@H](Cn2ccnc2)C(C)C)n[nH]1
InChIInChI=1S/C15H23N5O/c1-4-5-12-8-13(19-18-12)15(21)17-14(11(2)3)9-20-7-6-16-10-20/h6-8,10-11,14H,4-5,9H2,1-3H3,(H,17,21)(H,18,19)/t14-/m1/s1
InChIKeyBAPSMJLWHKKILR-CQSZACIVSA-N
XLogP2.01
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide
CID 95122330
5-propyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1H-pyrazole-3-carboxamide
CID 97118223
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 167828947
N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55717161
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 115596365
N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55555026
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55962372
4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101685
N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95123577
N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide
CID 50956729

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide (CID 94612533) is N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N[C@H](Cn2ccnc2)C(C)C)n[nH]1.
What is the InChIKey of N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is BAPSMJLWHKKILR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-5-12-8-13(19-18-12)15(21)17-14(11(2)3)9-20-7-6-16-10-20/h6-8,10-11,14H,4-5,9H2,1-3H3,(H,17,21)(H,18,19)/t14-/m1/s1.
What are the key properties of N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 94612533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).