1-(3-methyloxan-4-yl)pyrazole-4-carboxamide

C10H15N3O2 — CID 164945745

IUPAC1-(3-methyloxan-4-yl)pyrazole-4-carboxamide
SMILESCC1COCCC1n1cc(C(N)=O)cn1
InChIInChI=1S/C10H15N3O2/c1-7-6-15-3-2-9(7)13-5-8(4-12-13)10(11)14/h4-5,7,9H,2-3,6H2,1H3,(H2,11,14)
InChIKeyUMQYDDKCHZPXAV-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.58
Rot. Bonds2

About 1-(3-methyloxan-4-yl)pyrazole-4-carboxamide

1-(3-methyloxan-4-yl)pyrazole-4-carboxamide (PubChem CID 164945745) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(3-methyloxan-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methyloxan-4-yl)pyrazole-4-carboxamide
PubChem CID164945745
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(3-methyloxan-4-yl)pyrazole-4-carboxamide
SMILESCC1COCCC1n1cc(C(N)=O)cn1
InChIInChI=1S/C10H15N3O2/c1-7-6-15-3-2-9(7)13-5-8(4-12-13)10(11)14/h4-5,7,9H,2-3,6H2,1H3,(H2,11,14)
InChIKeyUMQYDDKCHZPXAV-UHFFFAOYSA-N
XLogP0.58
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-4-yl)-1H-pyrazole-4-carboxylic acid
CID 56604619
1-(oxan-4-yl)-1H-pyrazole-4-carbaldehyde
CID 63937510
1-[(1-Propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 95817242
methyl 3-(4-carbamoyl-1H-pyrazol-1-yl)propanoate
CID 50896619
[3-[Ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110197183
1-isobutyl-1H-pyrazole-4-carboxamide
CID 58125107
1-ethyl-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyrazole-4-carboxamide
CID 97802800
1-[2,2,2-Trifluoro-1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide
CID 175719613
1-[4-(Trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide
CID 175719674
1-[2-(Trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide
CID 175719678
5-Fluoro-1-(oxan-4-yl)pyrazole-4-carbaldehyde
CID 115021323
ethyl 3-(4-carbamoyl-1H-pyrazol-1-yl)-4,4,4-trifluorobutanoate
CID 132586254

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxan-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-methyloxan-4-yl)pyrazole-4-carboxamide (CID 164945745) is 1-(3-methyloxan-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-methyloxan-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-methyloxan-4-yl)pyrazole-4-carboxamide is CC1COCCC1n1cc(C(N)=O)cn1.
What is the InChIKey of 1-(3-methyloxan-4-yl)pyrazole-4-carboxamide?
The InChIKey is UMQYDDKCHZPXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-6-15-3-2-9(7)13-5-8(4-12-13)10(11)14/h4-5,7,9H,2-3,6H2,1H3,(H2,11,14).
What are the key properties of 1-(3-methyloxan-4-yl)pyrazole-4-carboxamide?
1-(3-methyloxan-4-yl)pyrazole-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxan-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 164945745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).