N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide

C10H12N6O — CID 102921219

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide
SMILESCn1cc(CN)c(NC(=O)c2cncnc2)n1
InChIInChI=1S/C10H12N6O/c1-16-5-7(2-11)9(15-16)14-10(17)8-3-12-6-13-4-8/h3-6H,2,11H2,1H3,(H,14,15,17)
InChIKeyPMMLKXQTUVERPH-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.08
Rot. Bonds3

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide (PubChem CID 102921219) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide
PubChem CID102921219
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide
SMILESCn1cc(CN)c(NC(=O)c2cncnc2)n1
InChIInChI=1S/C10H12N6O/c1-16-5-7(2-11)9(15-16)14-10(17)8-3-12-6-13-4-8/h3-6H,2,11H2,1H3,(H,14,15,17)
InChIKeyPMMLKXQTUVERPH-UHFFFAOYSA-N
XLogP-0.08
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801083
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylimidazole-4-carboxamide
CID 103510244
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide
CID 104592785
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 114040762
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 104592742
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide
CID 104592680
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 104592677
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
CID 104592792
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 104592766
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 104592838
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115913
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide
CID 113430305

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide (CID 102921219) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide is Cn1cc(CN)c(NC(=O)c2cncnc2)n1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide?
The InChIKey is PMMLKXQTUVERPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-16-5-7(2-11)9(15-16)14-10(17)8-3-12-6-13-4-8/h3-6H,2,11H2,1H3,(H,14,15,17).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide has a molecular weight of 232.25 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 102921219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).