1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide

C13H17N5O — CID 171682397

IUPAC1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cncnc2)n(C)n1
InChIInChI=1S/C13H17N5O/c1-9(2)11-4-12(18(3)17-11)13(19)16-7-10-5-14-8-15-6-10/h4-6,8-9H,7H2,1-3H3,(H,16,19)
InChIKeyBEBZEIJEIWWEOA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.26
Rot. Bonds4

About 1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide

1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide (PubChem CID 171682397) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide
PubChem CID171682397
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cncnc2)n(C)n1
InChIInChI=1S/C13H17N5O/c1-9(2)11-4-12(18(3)17-11)13(19)16-7-10-5-14-8-15-6-10/h4-6,8-9H,7H2,1-3H3,(H,16,19)
InChIKeyBEBZEIJEIWWEOA-UHFFFAOYSA-N
XLogP1.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 74238749
1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide
CID 110226023
N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111560633
N-(2-hydroxy-3-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 71917281
N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97095637
N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111560546
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone
CID 82376195
1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 75375888
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
methyl 1-methyl-3-propan-2-ylpyrazole-5-carboxylate
CID 25248219
1-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 70761922
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565394

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide (CID 171682397) is 1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide is CC(C)c1cc(C(=O)NCc2cncnc2)n(C)n1.
What is the InChIKey of 1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is BEBZEIJEIWWEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(2)11-4-12(18(3)17-11)13(19)16-7-10-5-14-8-15-6-10/h4-6,8-9H,7H2,1-3H3,(H,16,19).
What are the key properties of 1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide?
1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 171682397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).