N-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide

C15H26N4O2 — CID 125143578

IUPACN-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCCC[C@H](C)C(=O)NCCNC(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C15H26N4O2/c1-5-6-12(4)14(20)16-8-9-17-15(21)13-7-10-19(18-13)11(2)3/h7,10-12H,5-6,8-9H2,1-4H3,(H,16,20)(H,17,21)/t12-/m0/s1
InChIKeyWENGBXLGQCKRFM-LBPRGKRZSA-N
MW294.40 g/mol
LogP1.75
Rot. Bonds8

About N-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide

N-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 125143578) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID125143578
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCCC[C@H](C)C(=O)NCCNC(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C15H26N4O2/c1-5-6-12(4)14(20)16-8-9-17-15(21)13-7-10-19(18-13)11(2)3/h7,10-12H,5-6,8-9H2,1-4H3,(H,16,20)(H,17,21)/t12-/m0/s1
InChIKeyWENGBXLGQCKRFM-LBPRGKRZSA-N
XLogP1.75
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N-(2-cyano-1-cyclopentenyl)-1-ethyl-3-pyrazolecarboxamide
CID 891902
N-methyl-3-(1-piperidinylcarbonyl)-1H-pyrazole-1-carboxamide
CID 874546
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
(8aR,11aS)-1-(2-ethylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201569
N-[(1-cyclopentyl-3-piperidinyl)methyl]-1-methyl-N-[2-(1-piperidinyl)ethyl]-1H-pyrazole-5-carboxamide
CID 24819489
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
N-Isobutyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 19279617
4-iodo-1-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 19575668

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide (CID 125143578) is N-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide is CCC[C@H](C)C(=O)NCCNC(=O)c1ccn(C(C)C)n1.
What is the InChIKey of N-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is WENGBXLGQCKRFM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-6-12(4)14(20)16-8-9-17-15(21)13-7-10-19(18-13)11(2)3/h7,10-12H,5-6,8-9H2,1-4H3,(H,16,20)(H,17,21)/t12-/m0/s1.
What are the key properties of N-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-2-methylpentanoyl]amino]ethyl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 125143578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).