1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine

C16H21ClN4 — CID 71975803

IUPAC1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCCn1cc(CNC2CCN(c3cccc(Cl)c3)C2)cn1
InChIInChI=1S/C16H21ClN4/c1-2-21-11-13(10-19-21)9-18-15-6-7-20(12-15)16-5-3-4-14(17)8-16/h3-5,8,10-11,15,18H,2,6-7,9,12H2,1H3
InChIKeyWMVCQPNSEJCPKB-UHFFFAOYSA-N
MW304.83 g/mol
LogP2.92
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine

1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 71975803) has the molecular formula C16H21ClN4 and a molecular weight of 304.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID71975803
Molecular FormulaC16H21ClN4
Molecular Weight304.83 g/mol
Exact Mass304.15
IUPAC Name1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCCn1cc(CNC2CCN(c3cccc(Cl)c3)C2)cn1
InChIInChI=1S/C16H21ClN4/c1-2-21-11-13(10-19-21)9-18-15-6-7-20(12-15)16-5-3-4-14(17)8-16/h3-5,8,10-11,15,18H,2,6-7,9,12H2,1H3
InChIKeyWMVCQPNSEJCPKB-UHFFFAOYSA-N
XLogP2.92
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine (CID 71975803) is 1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine is CCn1cc(CNC2CCN(c3cccc(Cl)c3)C2)cn1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is WMVCQPNSEJCPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-2-21-11-13(10-19-21)9-18-15-6-7-20(12-15)16-5-3-4-14(17)8-16/h3-5,8,10-11,15,18H,2,6-7,9,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 304.83 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71975803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).