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

C13H25N3 — CID 43645085

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1c(C)n[nH]c1C
InChIInChI=1S/C13H25N3/c1-5-6-7-8-10(2)14-9-13-11(3)15-16-12(13)4/h10,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyQIQZBUMVQBNFDC-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.08
Rot. Bonds7

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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]heptan-2-amine (PubChem CID 43645085) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]heptan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]heptan-2-amine
PubChem CID43645085
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1c(C)n[nH]c1C
InChIInChI=1S/C13H25N3/c1-5-6-7-8-10(2)14-9-13-11(3)15-16-12(13)4/h10,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyQIQZBUMVQBNFDC-UHFFFAOYSA-N
XLogP3.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43644966
N-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine
CID 43777198
1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43645070
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 12978503
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 62326528
methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 60780721
(1R)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81383005
methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methylpentanoate
CID 43732460
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 43685440
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 43645072
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 106328145
4-(butylsulfanylmethyl)-3,5-dimethyl-1H-pyrazole
CID 146171340

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]heptan-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]heptan-2-amine (CID 43645085) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]heptan-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]heptan-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]heptan-2-amine is CCCCCC(C)NCc1c(C)n[nH]c1C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]heptan-2-amine?
The InChIKey is QIQZBUMVQBNFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-6-7-8-10(2)14-9-13-11(3)15-16-12(13)4/h10,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]heptan-2-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]heptan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.08, 7 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]heptan-2-amine is sourced from PubChem (CID 43645085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).