1-(oxan-4-ylmethyl)pyrazole-3-carboxamide

C10H15N3O2 — CID 118365559

IUPAC1-(oxan-4-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(CC2CCOCC2)n1
InChIInChI=1S/C10H15N3O2/c11-10(14)9-1-4-13(12-9)7-8-2-5-15-6-3-8/h1,4,8H,2-3,5-7H2,(H2,11,14)
InChIKeyUQZPXLZUVRQDCU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.41
Rot. Bonds3

About 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide

1-(oxan-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 118365559) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID118365559
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(oxan-4-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(CC2CCOCC2)n1
InChIInChI=1S/C10H15N3O2/c11-10(14)9-1-4-13(12-9)7-8-2-5-15-6-3-8/h1,4,8H,2-3,5-7H2,(H2,11,14)
InChIKeyUQZPXLZUVRQDCU-UHFFFAOYSA-N
XLogP0.41
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
1-propyl-1H-pyrazole-3-carboxamide
CID 21658321
(2-Ethylpyrazol-3-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150889
(1-Ethylpyrazol-3-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150890
"N-{2-[4-(2-methoxyethyl)piperidino]-2-oxoethyl}-N,1-dimethyl-1H-pyrazole-5-carboxamide"
CID 53151093
N~5~-{(3S,4R)-4-[(Dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-YL}-1-methyl-1H-pyrazole-5-carboxamide
CID 91923042
N,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide
CID 110875726
4-(2-Methoxyethyl)-N,N-dimethyl-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-amine
CID 124045874
7-Ethyl-11-(1-ethyl-1H-pyrazole-5-carbonyl)-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one
CID 124075363
1-ethyl-1H-pyrazole-3-carboxamide
CID 7017671
1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide
CID 99739991

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide (CID 118365559) is 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide is NC(=O)c1ccn(CC2CCOCC2)n1.
What is the InChIKey of 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is UQZPXLZUVRQDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-10(14)9-1-4-13(12-9)7-8-2-5-15-6-3-8/h1,4,8H,2-3,5-7H2,(H2,11,14).
What are the key properties of 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
1-(oxan-4-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 118365559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).