N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine

C13H23N3O — CID 64800620

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H23N3O/c1-11(10-17-2)14-9-12-7-8-16(15-12)13-5-3-4-6-13/h7-8,11,13-14H,3-6,9-10H2,1-2H3
InChIKeyOYNJHWJHBWYPEV-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.12
Rot. Bonds6

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine (PubChem CID 64800620) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
PubChem CID64800620
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H23N3O/c1-11(10-17-2)14-9-12-7-8-16(15-12)13-5-3-4-6-13/h7-8,11,13-14H,3-6,9-10H2,1-2H3
InChIKeyOYNJHWJHBWYPEV-UHFFFAOYSA-N
XLogP2.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 64801249
N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine
CID 64801633
3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide
CID 113349012
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine
CID 64785550
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 64799138
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847
4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine
CID 64785182
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
3-(3-bromo-4-methoxybutyl)-1-cyclopentylpyrazole
CID 64780038

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine (CID 64800620) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine is COCC(C)NCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine?
The InChIKey is OYNJHWJHBWYPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(10-17-2)14-9-12-7-8-16(15-12)13-5-3-4-6-13/h7-8,11,13-14H,3-6,9-10H2,1-2H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 64800620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).