N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide

C14H16N4O2 — CID 154654592

IUPACN-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCOCC1)c1[nH]ncc1-c1cccnc1
InChIInChI=1S/C14H16N4O2/c19-14(17-11-3-6-20-7-4-11)13-12(9-16-18-13)10-2-1-5-15-8-10/h1-2,5,8-9,11H,3-4,6-7H2,(H,16,18)(H,17,19)
InChIKeyCBRWUMJBRVQGEA-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.38
Rot. Bonds3

About N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide

N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 154654592) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide
PubChem CID154654592
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCOCC1)c1[nH]ncc1-c1cccnc1
InChIInChI=1S/C14H16N4O2/c19-14(17-11-3-6-20-7-4-11)13-12(9-16-18-13)10-2-1-5-15-8-10/h1-2,5,8-9,11H,3-4,6-7H2,(H,16,18)(H,17,19)
InChIKeyCBRWUMJBRVQGEA-UHFFFAOYSA-N
XLogP1.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-pyridin-3-yl-1H-pyrazole-5-carboxylate
CID 14171451
4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 142995019
N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 154654049
3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 105068747
ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
CID 143797168
4-amino-N-(oxan-4-yl)pyridine-3-carboxamide
CID 81242575
5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide
CID 11599028
4-methyl-5-(5-methyl-3-pyridin-3-yl-4H-1,2-oxazol-5-yl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 102589267
N-cyclopropyl-4-methyl-1H-pyrazole-5-carboxamide
CID 110847961
N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 78978275
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 22933507

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide (CID 154654592) is N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide is O=C(NC1CCOCC1)c1[nH]ncc1-c1cccnc1.
What is the InChIKey of N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is CBRWUMJBRVQGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-14(17-11-3-6-20-7-4-11)13-12(9-16-18-13)10-2-1-5-15-8-10/h1-2,5,8-9,11H,3-4,6-7H2,(H,16,18)(H,17,19).
What are the key properties of N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide?
N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-pyridin-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 154654592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).