1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide

C13H17N7O — CID 81001490

IUPAC1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2nc(C3CC3)nc(NN)c2C)n1
InChIInChI=1S/C13H17N7O/c1-7-10(18-14)16-11(8-3-4-8)17-12(7)20-6-5-9(19-20)13(21)15-2/h5-6,8H,3-4,14H2,1-2H3,(H,15,21)(H,16,17,18)
InChIKeyIREHCEZNXBVXFW-UHFFFAOYSA-N
MW287.33 g/mol
LogP0.49
Rot. Bonds4

About 1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide

1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide (PubChem CID 81001490) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
PubChem CID81001490
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2nc(C3CC3)nc(NN)c2C)n1
InChIInChI=1S/C13H17N7O/c1-7-10(18-14)16-11(8-3-4-8)17-12(7)20-6-5-9(19-20)13(21)15-2/h5-6,8H,3-4,14H2,1-2H3,(H,15,21)(H,16,17,18)
InChIKeyIREHCEZNXBVXFW-UHFFFAOYSA-N
XLogP0.49
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide
CID 80988908
1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 113317014
N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 80867683
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 115563143
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N-methylpyrazole-3-carboxamide
CID 80637553
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 82744561
1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 79073921
4-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-3-methylpiperazin-2-one
CID 81006699
[2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-yl]hydrazine
CID 104961889
1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide
CID 80868258
1-[1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106839940
1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide
CID 64780365

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide (CID 81001490) is 1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2nc(C3CC3)nc(NN)c2C)n1.
What is the InChIKey of 1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
The InChIKey is IREHCEZNXBVXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O/c1-7-10(18-14)16-11(8-3-4-8)17-12(7)20-6-5-9(19-20)13(21)15-2/h5-6,8H,3-4,14H2,1-2H3,(H,15,21)(H,16,17,18).
What are the key properties of 1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide?
1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide has a molecular weight of 287.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 81001490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).