1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine

C14H17ClN4 — CID 71975804

IUPAC1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine
SMILESClc1cccc(N2CCC(NCc3ccn[nH]3)C2)c1
InChIInChI=1S/C14H17ClN4/c15-11-2-1-3-14(8-11)19-7-5-13(10-19)16-9-12-4-6-17-18-12/h1-4,6,8,13,16H,5,7,9-10H2,(H,17,18)
InChIKeyVDIIDNNOIILTIM-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.43
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine

1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine (PubChem CID 71975804) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine
PubChem CID71975804
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine
SMILESClc1cccc(N2CCC(NCc3ccn[nH]3)C2)c1
InChIInChI=1S/C14H17ClN4/c15-11-2-1-3-14(8-11)19-7-5-13(10-19)16-9-12-4-6-17-18-12/h1-4,6,8,13,16H,5,7,9-10H2,(H,17,18)
InChIKeyVDIIDNNOIILTIM-UHFFFAOYSA-N
XLogP2.43
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 71897
CID 71897
CID 209757
CID 209757
CID 19626212
CID 19626212
CID 51084958
CID 51084958
CID 71975803
CID 71975803
CID 145915714
CID 145915714
CID 2805719
CID 2805719
CID 45201696
CID 45201696
CID 86819173
CID 86819173
CID 97612233
CID 97612233
CID 168863905
CID 168863905
CID 171059557
CID 171059557

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine (CID 71975804) is 1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine is Clc1cccc(N2CCC(NCc3ccn[nH]3)C2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine?
The InChIKey is VDIIDNNOIILTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c15-11-2-1-3-14(8-11)19-7-5-13(10-19)16-9-12-4-6-17-18-12/h1-4,6,8,13,16H,5,7,9-10H2,(H,17,18).
What are the key properties of 1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine?
1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine has a molecular weight of 276.77 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71975804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).