N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C14H14F3N5O — CID 138008803

IUPACN-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cnc(CC3CC3)nc2)cc1C(F)(F)F
InChIInChI=1S/C14H14F3N5O/c1-22-11(14(15,16)17)5-10(21-22)13(23)20-9-6-18-12(19-7-9)4-8-2-3-8/h5-8H,2-4H2,1H3,(H,20,23)
InChIKeyWYVILLRLTMDLMS-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.43
Rot. Bonds4

About N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 138008803) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID138008803
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC NameN-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cnc(CC3CC3)nc2)cc1C(F)(F)F
InChIInChI=1S/C14H14F3N5O/c1-22-11(14(15,16)17)5-10(21-22)13(23)20-9-6-18-12(19-7-9)4-8-2-3-8/h5-8H,2-4H2,1H3,(H,20,23)
InChIKeyWYVILLRLTMDLMS-UHFFFAOYSA-N
XLogP2.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 138008803) is N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2cnc(CC3CC3)nc2)cc1C(F)(F)F.
What is the InChIKey of N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is WYVILLRLTMDLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c1-22-11(14(15,16)17)5-10(21-22)13(23)20-9-6-18-12(19-7-9)4-8-2-3-8/h5-8H,2-4H2,1H3,(H,20,23).
What are the key properties of N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethyl)pyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 138008803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).