(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C15H23N5O — CID 94866482

IUPAC(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C15H23N5O/c1-8(2)12-7-13(18-17-12)16-15(21)9(3)14-10(4)19-20(6)11(14)5/h7-9H,1-6H3,(H2,16,17,18,21)/t9-/m0/s1
InChIKeyFMFKUGRMVBXXOC-VIFPVBQESA-N
MW289.38 g/mol
LogP2.63
Rot. Bonds4

About (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 94866482) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID94866482
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C15H23N5O/c1-8(2)12-7-13(18-17-12)16-15(21)9(3)14-10(4)19-20(6)11(14)5/h7-9H,1-6H3,(H2,16,17,18,21)/t9-/m0/s1
InChIKeyFMFKUGRMVBXXOC-VIFPVBQESA-N
XLogP2.63
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-methyl-3-(1-methylimidazol-2-yl)pyrazol-5-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 127595040
3-methylsulfonyl-5-[2-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzoic acid
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2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
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(2S)-N-(3-fluoro-4-methylsulfanylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
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4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618326
2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
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1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 47404882
(2S)-N-(1-tert-butyl-4-cyanopyrrol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 94866482) is (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is FMFKUGRMVBXXOC-VIFPVBQESA-N. The full InChI is InChI=1S/C15H23N5O/c1-8(2)12-7-13(18-17-12)16-15(21)9(3)14-10(4)19-20(6)11(14)5/h7-9H,1-6H3,(H2,16,17,18,21)/t9-/m0/s1.
What are the key properties of (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 94866482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).