N-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine

C16H21N3 — CID 62772015

IUPACN-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine
SMILESCCNC1CCCC1n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H21N3/c1-2-17-15-9-6-10-16(15)19-12-14(11-18-19)13-7-4-3-5-8-13/h3-5,7-8,11-12,15-17H,2,6,9-10H2,1H3
InChIKeyRRVYUPMVMKALPW-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.25
Rot. Bonds4

About N-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine

N-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine (PubChem CID 62772015) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine
PubChem CID62772015
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine
SMILESCCNC1CCCC1n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H21N3/c1-2-17-15-9-6-10-16(15)19-12-14(11-18-19)13-7-4-3-5-8-13/h3-5,7-8,11-12,15-17H,2,6,9-10H2,1H3
InChIKeyRRVYUPMVMKALPW-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine (CID 62772015) is N-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine is CCNC1CCCC1n1cc(-c2ccccc2)cn1.
What is the InChIKey of N-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine?
The InChIKey is RRVYUPMVMKALPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-17-15-9-6-10-16(15)19-12-14(11-18-19)13-7-4-3-5-8-13/h3-5,7-8,11-12,15-17H,2,6,9-10H2,1H3.
What are the key properties of N-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine?
N-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-phenylpyrazol-1-yl)cyclopentan-1-amine is sourced from PubChem (CID 62772015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).