2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine

C14H21N5 — CID 64780055

IUPAC2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine
SMILESNCCc1nccn1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H21N5/c15-7-5-14-16-8-10-18(14)11-12-6-9-19(17-12)13-3-1-2-4-13/h6,8-10,13H,1-5,7,11,15H2
InChIKeyBXRMEFMPABVPQU-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.74
Rot. Bonds5

About 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine

2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine (PubChem CID 64780055) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine
PubChem CID64780055
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine
SMILESNCCc1nccn1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H21N5/c15-7-5-14-16-8-10-18(14)11-12-6-9-19(17-12)13-3-1-2-4-13/h6,8-10,13H,1-5,7,11,15H2
InChIKeyBXRMEFMPABVPQU-UHFFFAOYSA-N
XLogP1.74
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine
CID 64779300
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]imidazol-2-yl]propan-2-amine
CID 64779302
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 113259046
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 64801952
1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
CID 64776963
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
CID 64776964
1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
CID 116622567
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde
CID 66407470
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402598

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine (CID 64780055) is 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine is NCCc1nccn1Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine?
The InChIKey is BXRMEFMPABVPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c15-7-5-14-16-8-10-18(14)11-12-6-9-19(17-12)13-3-1-2-4-13/h6,8-10,13H,1-5,7,11,15H2.
What are the key properties of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine?
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine has a molecular weight of 259.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-2-yl]ethanamine is sourced from PubChem (CID 64780055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).