5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile

C10H15N5 — CID 102795442

IUPAC5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile
SMILESCC(Nc1nn(C)c(N)c1C#N)C1CC1
InChIInChI=1S/C10H15N5/c1-6(7-3-4-7)13-10-8(5-11)9(12)15(2)14-10/h6-7H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyQCCKABMNNVKZJU-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.08
Rot. Bonds3

About 5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile

5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile (PubChem CID 102795442) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile
PubChem CID102795442
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile
SMILESCC(Nc1nn(C)c(N)c1C#N)C1CC1
InChIInChI=1S/C10H15N5/c1-6(7-3-4-7)13-10-8(5-11)9(12)15(2)14-10/h6-7H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyQCCKABMNNVKZJU-UHFFFAOYSA-N
XLogP1.08
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile
CID 83856530
5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102796212
3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine
CID 103078915
3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82813264
5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile
CID 22310036
2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825419
1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile
CID 63758031
5-amino-1-methyl-3-piperidin-2-ylpyrazole-4-carbonitrile
CID 83856508
5-amino-3-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile
CID 3782110
4-N-(1-cyclopropylethyl)-5-nitropyrimidine-4,6-diamine
CID 80780873
5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile
CID 114115069
5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile
CID 102796021

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile (CID 102795442) is 5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile is CC(Nc1nn(C)c(N)c1C#N)C1CC1.
What is the InChIKey of 5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile?
The InChIKey is QCCKABMNNVKZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-6(7-3-4-7)13-10-8(5-11)9(12)15(2)14-10/h6-7H,3-4,12H2,1-2H3,(H,13,14).
What are the key properties of 5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile?
5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 102795442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).