N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine

C13H23N3 — CID 115858855

IUPACN-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccnn1C)C1(C)CCCC1
InChIInChI=1S/C13H23N3/c1-4-14-12(11-7-10-15-16(11)3)13(2)8-5-6-9-13/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeySWPZKTOPVRWZJQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.65
Rot. Bonds4

About N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine

N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 115858855) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID115858855
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccnn1C)C1(C)CCCC1
InChIInChI=1S/C13H23N3/c1-4-14-12(11-7-10-15-16(11)3)13(2)8-5-6-9-13/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeySWPZKTOPVRWZJQ-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830099
N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 105148565
N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 116764059
N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043879
(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858366
N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 107188819
N,N-diethyl-1-[hydrazinyl-(2-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 105242582
N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine
CID 79080561
N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 63963923
N-[(1-ethylcyclopentyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093788
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830779
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63962680

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine (CID 115858855) is N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccnn1C)C1(C)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is SWPZKTOPVRWZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-14-12(11-7-10-15-16(11)3)13(2)8-5-6-9-13/h7,10,12,14H,4-6,8-9H2,1-3H3.
What are the key properties of N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 115858855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).