N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide

C12H11F2N5O — CID 138024011

IUPACN-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cn[nH]c1C1CC1)c1cc(C(F)F)ncn1
InChIInChI=1S/C12H11F2N5O/c13-11(14)7-3-8(16-5-15-7)12(20)18-9-4-17-19-10(9)6-1-2-6/h3-6,11H,1-2H2,(H,17,19)(H,18,20)
InChIKeyPPDMZJVWDVGGEU-UHFFFAOYSA-N
MW279.25 g/mol
LogP2.27
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide

N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide (PubChem CID 138024011) has the molecular formula C12H11F2N5O and a molecular weight of 279.25 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide
PubChem CID138024011
Molecular FormulaC12H11F2N5O
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cn[nH]c1C1CC1)c1cc(C(F)F)ncn1
InChIInChI=1S/C12H11F2N5O/c13-11(14)7-3-8(16-5-15-7)12(20)18-9-4-17-19-10(9)6-1-2-6/h3-6,11H,1-2H2,(H,17,19)(H,18,20)
InChIKeyPPDMZJVWDVGGEU-UHFFFAOYSA-N
XLogP2.27
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide (CID 138024011) is N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide is O=C(Nc1cn[nH]c1C1CC1)c1cc(C(F)F)ncn1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is PPDMZJVWDVGGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5O/c13-11(14)7-3-8(16-5-15-7)12(20)18-9-4-17-19-10(9)6-1-2-6/h3-6,11H,1-2H2,(H,17,19)(H,18,20).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide?
N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 279.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-(difluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 138024011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).