N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine

C13H23N3O — CID 114255317

IUPACN-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)n(C)n1)C1CCCC1
InChIInChI=1S/C13H23N3O/c1-4-14-13(10-7-5-6-8-10)11-9-12(17-3)16(2)15-11/h9-10,13-14H,4-8H2,1-3H3
InChIKeyOPFCZMNONWSUCI-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.27
Rot. Bonds5

About N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine

N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 114255317) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID114255317
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)n(C)n1)C1CCCC1
InChIInChI=1S/C13H23N3O/c1-4-14-13(10-7-5-6-8-10)11-9-12(17-3)16(2)15-11/h9-10,13-14H,4-8H2,1-3H3
InChIKeyOPFCZMNONWSUCI-UHFFFAOYSA-N
XLogP2.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cycloheptyl-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 103374557
N-ethyl-1-(5-methoxy-1-methylpyrazol-3-yl)-4-methylpent-4-en-1-amine
CID 114255542
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680669
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 102811928
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881
N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 105155834
N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine (CID 114255317) is N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1cc(OC)n(C)n1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is OPFCZMNONWSUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-14-13(10-7-5-6-8-10)11-9-12(17-3)16(2)15-11/h9-10,13-14H,4-8H2,1-3H3.
What are the key properties of N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine?
N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 114255317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).