N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine

C13H23N3 — CID 79862022

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCc1n[nH]c(C)c1CNC1CCCC1(C)C
InChIInChI=1S/C13H23N3/c1-9-11(10(2)16-15-9)8-14-12-6-5-7-13(12,3)4/h12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyTYSHBHBGXIIKBM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.69
Rot. Bonds3

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79862022) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79862022
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCc1n[nH]c(C)c1CNC1CCCC1(C)C
InChIInChI=1S/C13H23N3/c1-9-11(10(2)16-15-9)8-14-12-6-5-7-13(12,3)4/h12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyTYSHBHBGXIIKBM-UHFFFAOYSA-N
XLogP2.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethyl]-methyl-amine
CID 6603359
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 645354
2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane
CID 71695369
(3,5-dimethyl-1H-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate
CID 139060191
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 50979543
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56716342
9-[(3,5-Dimethyl-1H-pyrazol-4-YL)methyl]-3,9-diazaspiro[5.6]dodecane
CID 74248039
2,2-dimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine
CID 84595777
(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 95225503
(4S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethylazepan-4-amine
CID 99927891
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine
CID 126775333
trans-(1S,2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-fluorocyclohexan-1-amine
CID 164643080

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine (CID 79862022) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine is Cc1n[nH]c(C)c1CNC1CCCC1(C)C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is TYSHBHBGXIIKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9-11(10(2)16-15-9)8-14-12-6-5-7-13(12,3)4/h12,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79862022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).