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

C17H20N6O2 — CID 131893636

IUPACN-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCCN(Cc1nc(C(C)C)no1)C(=O)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C17H20N6O2/c1-4-23(10-15-19-16(11(2)3)22-25-15)17(24)14-9-13(20-21-14)12-5-7-18-8-6-12/h5-9,11H,4,10H2,1-3H3,(H,20,21)
InChIKeyRDASXIJNWGHUEV-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.64
Rot. Bonds6

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

N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 131893636) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID131893636
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCCN(Cc1nc(C(C)C)no1)C(=O)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C17H20N6O2/c1-4-23(10-15-19-16(11(2)3)22-25-15)17(24)14-9-13(20-21-14)12-5-7-18-8-6-12/h5-9,11H,4,10H2,1-3H3,(H,20,21)
InChIKeyRDASXIJNWGHUEV-UHFFFAOYSA-N
XLogP2.64
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760439
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CID 56711679
N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
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CID 79377189
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CID 50984748
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CID 8875273
2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid
CID 119198521
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CID 39947953
N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870925
1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 126427845
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 39459167
N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119581386

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 131893636) is N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is CCN(Cc1nc(C(C)C)no1)C(=O)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is RDASXIJNWGHUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-4-23(10-15-19-16(11(2)3)22-25-15)17(24)14-9-13(20-21-14)12-5-7-18-8-6-12/h5-9,11H,4,10H2,1-3H3,(H,20,21).
What are the key properties of N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 131893636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).