N-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine

C11H21N3 — CID 43777198

IUPACN-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCCCCC(C)Nc1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3/c1-5-6-7-8(2)12-11-9(3)13-14-10(11)4/h8,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyPKZYNQCYBUNTEB-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.02
Rot. Bonds5

About N-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine

N-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43777198) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43777198
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCCCCC(C)Nc1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3/c1-5-6-7-8(2)12-11-9(3)13-14-10(11)4/h8,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyPKZYNQCYBUNTEB-UHFFFAOYSA-N
XLogP3.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine (CID 43777198) is N-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine is CCCCC(C)Nc1c(C)n[nH]c1C.
What is the InChIKey of N-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is PKZYNQCYBUNTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-6-7-8(2)12-11-9(3)13-14-10(11)4/h8,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine?
N-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 195.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43777198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).