(1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine

C16H25N5 — CID 28871074

IUPAC(1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
SMILESCc1c([C@H](C)NCc2ccnn2C2CCCC2)cnn1C
InChIInChI=1S/C16H25N5/c1-12(16-11-19-20(3)13(16)2)17-10-15-8-9-18-21(15)14-6-4-5-7-14/h8-9,11-12,14,17H,4-7,10H2,1-3H3/t12-/m0/s1
InChIKeySQWVAFMXGXVJCU-LBPRGKRZSA-N
MW287.41 g/mol
LogP2.89
Rot. Bonds5

About (1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine

(1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine (PubChem CID 28871074) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is (1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
PubChem CID28871074
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name(1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
SMILESCc1c([C@H](C)NCc2ccnn2C2CCCC2)cnn1C
InChIInChI=1S/C16H25N5/c1-12(16-11-19-20(3)13(16)2)17-10-15-8-9-18-21(15)14-6-4-5-7-14/h8-9,11-12,14,17H,4-7,10H2,1-3H3/t12-/m0/s1
InChIKeySQWVAFMXGXVJCU-LBPRGKRZSA-N
XLogP2.89
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of (1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine (CID 28871074) is (1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for (1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine is Cc1c([C@H](C)NCc2ccnn2C2CCCC2)cnn1C.
What is the InChIKey of (1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is SQWVAFMXGXVJCU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N5/c1-12(16-11-19-20(3)13(16)2)17-10-15-8-9-18-21(15)14-6-4-5-7-14/h8-9,11-12,14,17H,4-7,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
(1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 28871074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).