1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine

C9H15N3 — CID 130496222

IUPAC1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine
SMILESC=C(C)CNc1ccn(CC)n1
InChIInChI=1S/C9H15N3/c1-4-12-6-5-9(11-12)10-7-8(2)3/h5-6H,2,4,7H2,1,3H3,(H,10,11)
InChIKeyMRPQOJJADCYRCQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.89
Rot. Bonds4

About 1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine

1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine (PubChem CID 130496222) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine
PubChem CID130496222
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine
SMILESC=C(C)CNc1ccn(CC)n1
InChIInChI=1S/C9H15N3/c1-4-12-6-5-9(11-12)10-7-8(2)3/h5-6H,2,4,7H2,1,3H3,(H,10,11)
InChIKeyMRPQOJJADCYRCQ-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166587
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
CID 141210636
2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
CID 114250987
3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile
CID 130496237
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine
CID 114251829
N-butan-2-yl-1-ethylpyrazol-3-amine
CID 130496120
2-[[(1-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 114251895
N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine
CID 130496141
N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine
CID 114252240
N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide
CID 130927400
2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride
CID 126965228

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine?
The IUPAC name of 1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine (CID 130496222) is 1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine?
The canonical SMILES for 1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine is C=C(C)CNc1ccn(CC)n1.
What is the InChIKey of 1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine?
The InChIKey is MRPQOJJADCYRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-12-6-5-9(11-12)10-7-8(2)3/h5-6H,2,4,7H2,1,3H3,(H,10,11).
What are the key properties of 1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine?
1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine has a molecular weight of 165.24 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine is sourced from PubChem (CID 130496222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).