1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

C10H13F2N3O2 — CID 19268436

IUPAC1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccn(C(F)F)n1
InChIInChI=1S/C10H13F2N3O2/c11-10(12)15-4-3-8(14-15)9(16)13-6-7-2-1-5-17-7/h3-4,7,10H,1-2,5-6H2,(H,13,16)
InChIKeyICINOWHMBLWHRS-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.19
Rot. Bonds4

About 1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19268436) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID19268436
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccn(C(F)F)n1
InChIInChI=1S/C10H13F2N3O2/c11-10(12)15-4-3-8(14-15)9(16)13-6-7-2-1-5-17-7/h3-4,7,10H,1-2,5-6H2,(H,13,16)
InChIKeyICINOWHMBLWHRS-UHFFFAOYSA-N
XLogP1.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (CID 19268436) is 1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is O=C(NCC1CCCO1)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is ICINOWHMBLWHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c11-10(12)15-4-3-8(14-15)9(16)13-6-7-2-1-5-17-7/h3-4,7,10H,1-2,5-6H2,(H,13,16).
What are the key properties of 1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 245.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).