1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine

C16H22N4 — CID 114697594

IUPAC1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine
SMILESCCc1ccc(-c2[nH]nc(N3CCC(N)C3)c2C)cc1
InChIInChI=1S/C16H22N4/c1-3-12-4-6-13(7-5-12)15-11(2)16(19-18-15)20-9-8-14(17)10-20/h4-7,14H,3,8-10,17H2,1-2H3,(H,18,19)
InChIKeyNLAAFFVATLZRJN-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.48
Rot. Bonds3

About 1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine

1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine (PubChem CID 114697594) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine
PubChem CID114697594
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine
SMILESCCc1ccc(-c2[nH]nc(N3CCC(N)C3)c2C)cc1
InChIInChI=1S/C16H22N4/c1-3-12-4-6-13(7-5-12)15-11(2)16(19-18-15)20-9-8-14(17)10-20/h4-7,14H,3,8-10,17H2,1-2H3,(H,18,19)
InChIKeyNLAAFFVATLZRJN-UHFFFAOYSA-N
XLogP2.48
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
CID 56771532
1-[5-(3-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]piperidin-3-amine
CID 114872947
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
1-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793350
1-(7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)pyrrolidin-3-amine
CID 114697582
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
1-[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793037
1-(3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 62253531
[1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine
CID 82191781
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine
CID 57304022
ethanamine;1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine
CID 144636552
(3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride
CID 71639291

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine (CID 114697594) is 1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine is CCc1ccc(-c2[nH]nc(N3CCC(N)C3)c2C)cc1.
What is the InChIKey of 1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine?
The InChIKey is NLAAFFVATLZRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-12-4-6-13(7-5-12)15-11(2)16(19-18-15)20-9-8-14(17)10-20/h4-7,14H,3,8-10,17H2,1-2H3,(H,18,19).
What are the key properties of 1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine?
1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine has a molecular weight of 270.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethylphenyl)-4-methyl-1H-pyrazol-3-yl]pyrrolidin-3-amine is sourced from PubChem (CID 114697594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).