N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine

C17H23N3 — CID 43406622

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine
SMILESCc1nn(-c2ccccc2)c(C)c1CNC1CCCC1
InChIInChI=1S/C17H23N3/c1-13-17(12-18-15-8-6-7-9-15)14(2)20(19-13)16-10-4-3-5-11-16/h3-5,10-11,15,18H,6-9,12H2,1-2H3
InChIKeyWGJUMEIZGYYDPY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.52
Rot. Bonds4

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine (PubChem CID 43406622) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine
PubChem CID43406622
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine
SMILESCc1nn(-c2ccccc2)c(C)c1CNC1CCCC1
InChIInChI=1S/C17H23N3/c1-13-17(12-18-15-8-6-7-9-15)14(2)20(19-13)16-10-4-3-5-11-16/h3-5,10-11,15,18H,6-9,12H2,1-2H3
InChIKeyWGJUMEIZGYYDPY-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine (CID 43406622) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine is Cc1nn(-c2ccccc2)c(C)c1CNC1CCCC1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine?
The InChIKey is WGJUMEIZGYYDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-17(12-18-15-8-6-7-9-15)14(2)20(19-13)16-10-4-3-5-11-16/h3-5,10-11,15,18H,6-9,12H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine has a molecular weight of 269.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclopentanamine is sourced from PubChem (CID 43406622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).