3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine

C16H21N3 — CID 114544063

IUPAC3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
SMILESCC1CCC(NCc2cn[nH]c2-c2ccccc2)C1
InChIInChI=1S/C16H21N3/c1-12-7-8-15(9-12)17-10-14-11-18-19-16(14)13-5-3-2-4-6-13/h2-6,11-12,15,17H,7-10H2,1H3,(H,18,19)
InChIKeyBVEUFMBGRPUGFO-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.35
Rot. Bonds4

About 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine

3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine (PubChem CID 114544063) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
PubChem CID114544063
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
SMILESCC1CCC(NCc2cn[nH]c2-c2ccccc2)C1
InChIInChI=1S/C16H21N3/c1-12-7-8-15(9-12)17-10-14-11-18-19-16(14)13-5-3-2-4-6-13/h2-6,11-12,15,17H,7-10H2,1H3,(H,18,19)
InChIKeyBVEUFMBGRPUGFO-UHFFFAOYSA-N
XLogP3.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine (CID 114544063) is 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine is CC1CCC(NCc2cn[nH]c2-c2ccccc2)C1.
What is the InChIKey of 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is BVEUFMBGRPUGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-7-8-15(9-12)17-10-14-11-18-19-16(14)13-5-3-2-4-6-13/h2-6,11-12,15,17H,7-10H2,1H3,(H,18,19).
What are the key properties of 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine?
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 114544063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).