2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide

C15H20N4O — CID 126443700

IUPAC2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)N[C@@H](C)Cc1cccnc1
InChIInChI=1S/C15H20N4O/c1-11(2)19-14(6-8-17-19)15(20)18-12(3)9-13-5-4-7-16-10-13/h4-8,10-12H,9H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyKSSDBCLEBMZUPN-LBPRGKRZSA-N
MW272.35 g/mol
LogP2.22
Rot. Bonds5

About 2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide

2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide (PubChem CID 126443700) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide
PubChem CID126443700
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)N[C@@H](C)Cc1cccnc1
InChIInChI=1S/C15H20N4O/c1-11(2)19-14(6-8-17-19)15(20)18-12(3)9-13-5-4-7-16-10-13/h4-8,10-12H,9H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyKSSDBCLEBMZUPN-LBPRGKRZSA-N
XLogP2.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 99927418
4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)benzamide
CID 122570086
2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 90653792
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide
CID 171388211
2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide
CID 99949923
4-(2,4-dioxoimidazolidin-1-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide
CID 97203237
2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 167897060
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-2-pyridin-4-ylpyrazole-3-carboxamide
CID 153385349
N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
CID 51948817
2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
CID 99926874
5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42291545

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide (CID 126443700) is 2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide is CC(C)n1nccc1C(=O)N[C@@H](C)Cc1cccnc1.
What is the InChIKey of 2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide?
The InChIKey is KSSDBCLEBMZUPN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)19-14(6-8-17-19)15(20)18-12(3)9-13-5-4-7-16-10-13/h4-8,10-12H,9H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide?
2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 126443700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).