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

C12H23N3 — CID 106328145

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1c(C)n[nH]c1C
InChIInChI=1S/C12H23N3/c1-6-12(5,7-2)13-8-11-9(3)14-15-10(11)4/h13H,6-8H2,1-5H3,(H,14,15)
InChIKeyQKSLLSNNCHGTAE-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.69
Rot. Bonds5

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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine (PubChem CID 106328145) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine
PubChem CID106328145
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1c(C)n[nH]c1C
InChIInChI=1S/C12H23N3/c1-6-12(5,7-2)13-8-11-9(3)14-15-10(11)4/h13H,6-8H2,1-5H3,(H,14,15)
InChIKeyQKSLLSNNCHGTAE-UHFFFAOYSA-N
XLogP2.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine (CID 106328145) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine is CCC(C)(CC)NCc1c(C)n[nH]c1C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine?
The InChIKey is QKSLLSNNCHGTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-12(5,7-2)13-8-11-9(3)14-15-10(11)4/h13H,6-8H2,1-5H3,(H,14,15).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine has a molecular weight of 209.34 g/mol, XLogP of 2.69, 5 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]-3-methylpentan-3-amine is sourced from PubChem (CID 106328145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).