1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine

C13H17N5 — CID 114080418

IUPAC1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine
SMILESCc1nccnc1-c1nn(C(C)C2CC2)cc1N
InChIInChI=1S/C13H17N5/c1-8-12(16-6-5-15-8)13-11(14)7-18(17-13)9(2)10-3-4-10/h5-7,9-10H,3-4,14H2,1-2H3
InChIKeyIJQJBUPKGJJACF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.20
Rot. Bonds3

About 1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine

1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine (PubChem CID 114080418) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine
PubChem CID114080418
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine
SMILESCc1nccnc1-c1nn(C(C)C2CC2)cc1N
InChIInChI=1S/C13H17N5/c1-8-12(16-6-5-15-8)13-11(14)7-18(17-13)9(2)10-3-4-10/h5-7,9-10H,3-4,14H2,1-2H3
InChIKeyIJQJBUPKGJJACF-UHFFFAOYSA-N
XLogP2.20
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine
CID 83217482
1-(1-cyclopropylethyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83217395
1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine
CID 83218426
3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine
CID 83217910
3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine
CID 83218167
1-(1-cyclopropylethyl)-3-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde
CID 63750608
3-tert-butyl-1-(1-cyclopropylethyl)pyrazole-4-carboxylic acid
CID 61271135
1-(1-cyclopropylethyl)pyrazole
CID 61272490
3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde
CID 114798217
1-[1-(3-methylpyrazin-2-yl)pyrrolidin-3-yl]ethanamine
CID 103976639
3-tert-butyl-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde
CID 61271504
3-(3-bromo-5-methylphenyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde
CID 82773879

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine (CID 114080418) is 1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine is Cc1nccnc1-c1nn(C(C)C2CC2)cc1N.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine?
The InChIKey is IJQJBUPKGJJACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-8-12(16-6-5-15-8)13-11(14)7-18(17-13)9(2)10-3-4-10/h5-7,9-10H,3-4,14H2,1-2H3.
What are the key properties of 1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine?
1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(3-methylpyrazin-2-yl)pyrazol-4-amine is sourced from PubChem (CID 114080418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).