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

C16H25N5 — CID 19625592

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCn1nccc1C(C)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H25N5/c1-3-20-16(8-10-18-20)13(2)17-12-14-9-11-21(19-14)15-6-4-5-7-15/h8-11,13,15,17H,3-7,12H2,1-2H3
InChIKeyYQLVZCAGSBHSRT-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.07
Rot. Bonds6

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

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine (PubChem CID 19625592) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
PubChem CID19625592
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCn1nccc1C(C)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H25N5/c1-3-20-16(8-10-18-20)13(2)17-12-14-9-11-21(19-14)15-6-4-5-7-15/h8-11,13,15,17H,3-7,12H2,1-2H3
InChIKeyYQLVZCAGSBHSRT-UHFFFAOYSA-N
XLogP3.07
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 64799138
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 64799108
N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine
CID 64801633
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 64800620
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 64801249
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847
3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide
CID 113349012
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 104993917
1-(2-ethylpyrazol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19625601

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine (CID 19625592) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine is CCn1nccc1C(C)NCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine?
The InChIKey is YQLVZCAGSBHSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-3-20-16(8-10-18-20)13(2)17-12-14-9-11-21(19-14)15-6-4-5-7-15/h8-11,13,15,17H,3-7,12H2,1-2H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 19625592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).