N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine

C13H23N3 — CID 114545767

IUPACN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine
SMILESCCn1nc(C)cc1CNC1CCC(C)C1
InChIInChI=1S/C13H23N3/c1-4-16-13(8-11(3)15-16)9-14-12-6-5-10(2)7-12/h8,10,12,14H,4-7,9H2,1-3H3
InChIKeyFJQVKZAHUVHXDI-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.49
Rot. Bonds4

About N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine

N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 114545767) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine
PubChem CID114545767
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine
SMILESCCn1nc(C)cc1CNC1CCC(C)C1
InChIInChI=1S/C13H23N3/c1-4-16-13(8-11(3)15-16)9-14-12-6-5-10(2)7-12/h8,10,12,14H,4-7,9H2,1-3H3
InChIKeyFJQVKZAHUVHXDI-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66401824
4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one
CID 106189405
N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017649
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870930
5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine
CID 106780199
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol
CID 103564494
3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine
CID 106780178
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylcyclopentan-1-amine
CID 114545775
3-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106190012
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 114544009
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine
CID 83020855

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine (CID 114545767) is N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine is CCn1nc(C)cc1CNC1CCC(C)C1.
What is the InChIKey of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is FJQVKZAHUVHXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-16-13(8-11(3)15-16)9-14-12-6-5-10(2)7-12/h8,10,12,14H,4-7,9H2,1-3H3.
What are the key properties of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine?
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 114545767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).