4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide

C13H16N6O — CID 62079534

IUPAC4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1nccc(CNC(=O)c2n[nH]c(C3CC3)c2N)n1
InChIInChI=1S/C13H16N6O/c1-7-15-5-4-9(17-7)6-16-13(20)12-10(14)11(18-19-12)8-2-3-8/h4-5,8H,2-3,6,14H2,1H3,(H,16,20)(H,18,19)
InChIKeyFGTFMVDMYKDUEJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.90
Rot. Bonds4

About 4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 62079534) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID62079534
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1nccc(CNC(=O)c2n[nH]c(C3CC3)c2N)n1
InChIInChI=1S/C13H16N6O/c1-7-15-5-4-9(17-7)6-16-13(20)12-10(14)11(18-19-12)8-2-3-8/h4-5,8H,2-3,6,14H2,1H3,(H,16,20)(H,18,19)
InChIKeyFGTFMVDMYKDUEJ-UHFFFAOYSA-N
XLogP0.90
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide (CID 62079534) is 4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1nccc(CNC(=O)c2n[nH]c(C3CC3)c2N)n1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is FGTFMVDMYKDUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-7-15-5-4-9(17-7)6-16-13(20)12-10(14)11(18-19-12)8-2-3-8/h4-5,8H,2-3,6,14H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62079534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).