3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine

C15H19N3 — CID 103908973

IUPAC3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NC/C=C/c1ccccc1
InChIInChI=1S/C15H19N3/c1-3-14-15(12-18(2)17-14)16-11-7-10-13-8-5-4-6-9-13/h4-10,12,16H,3,11H2,1-2H3/b10-7+
InChIKeyMJQYVFQUJPOSJI-JXMROGBWSA-N
MW241.34 g/mol
LogP3.11
Rot. Bonds5

About 3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine

3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine (PubChem CID 103908973) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine
PubChem CID103908973
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NC/C=C/c1ccccc1
InChIInChI=1S/C15H19N3/c1-3-14-15(12-18(2)17-14)16-11-7-10-13-8-5-4-6-9-13/h4-10,12,16H,3,11H2,1-2H3/b10-7+
InChIKeyMJQYVFQUJPOSJI-JXMROGBWSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
CID 107462698
(Z)-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-methylbut-2-enoic acid
CID 107463762
3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine
CID 107462816
3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine
CID 103909020
3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
3-ethyl-1-methyl-N-[(1-methylindol-3-yl)methyl]pyrazol-4-amine
CID 107462367
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine
CID 6508892
2-iodo-N-(3-phenylprop-2-enyl)aniline
CID 78944181
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine
CID 103932600
3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
CID 115897990

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine (CID 103908973) is 3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine is CCc1nn(C)cc1NC/C=C/c1ccccc1.
What is the InChIKey of 3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine?
The InChIKey is MJQYVFQUJPOSJI-JXMROGBWSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-14-15(12-18(2)17-14)16-11-7-10-13-8-5-4-6-9-13/h4-10,12,16H,3,11H2,1-2H3/b10-7+.
What are the key properties of 3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine?
3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine has a molecular weight of 241.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine is sourced from PubChem (CID 103908973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).