3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide

C17H20N6O2 — CID 97126973

IUPAC3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@@H](C)c2nc(-c3ccncc3)no2)c(C)n1
InChIInChI=1S/C17H20N6O2/c1-4-9-23-10-14(11(2)21-23)16(24)19-12(3)17-20-15(22-25-17)13-5-7-18-8-6-13/h5-8,10,12H,4,9H2,1-3H3,(H,19,24)/t12-/m0/s1
InChIKeyRQDORTHWRRUMTA-LBPRGKRZSA-N
MW340.39 g/mol
LogP2.54
Rot. Bonds6

About 3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide

3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 97126973) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide
PubChem CID97126973
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@@H](C)c2nc(-c3ccncc3)no2)c(C)n1
InChIInChI=1S/C17H20N6O2/c1-4-9-23-10-14(11(2)21-23)16(24)19-12(3)17-20-15(22-25-17)13-5-7-18-8-6-13/h5-8,10,12H,4,9H2,1-3H3,(H,19,24)/t12-/m0/s1
InChIKeyRQDORTHWRRUMTA-LBPRGKRZSA-N
XLogP2.54
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,2-difluoroethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpyrazole-4-carboxamide
CID 167186083
N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 91843379
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
CID 25211295
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 92717337
3-methyl-1-propan-2-yl-N-[(1S)-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-carboxamide
CID 167186116
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101346
3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide
CID 125436634
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 7449596
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 99931132
2-(2,4-dioxoimidazolidin-1-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 77088867
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 118777853
N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53041991

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide (CID 97126973) is 3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide is CCCn1cc(C(=O)N[C@@H](C)c2nc(-c3ccncc3)no2)c(C)n1.
What is the InChIKey of 3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is RQDORTHWRRUMTA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-4-9-23-10-14(11(2)21-23)16(24)19-12(3)17-20-15(22-25-17)13-5-7-18-8-6-13/h5-8,10,12H,4,9H2,1-3H3,(H,19,24)/t12-/m0/s1.
What are the key properties of 3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide?
3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 97126973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).