N-(1H-pyrazol-4-ylmethyl)hexan-2-amine

C10H19N3 — CID 60999451

IUPACN-(1H-pyrazol-4-ylmethyl)hexan-2-amine
SMILESCCCCC(C)NCc1cn[nH]c1
InChIInChI=1S/C10H19N3/c1-3-4-5-9(2)11-6-10-7-12-13-8-10/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyJKBIMEPLYLJLKC-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.08
Rot. Bonds6

About N-(1H-pyrazol-4-ylmethyl)hexan-2-amine

N-(1H-pyrazol-4-ylmethyl)hexan-2-amine (PubChem CID 60999451) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)hexan-2-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)hexan-2-amine
PubChem CID60999451
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-(1H-pyrazol-4-ylmethyl)hexan-2-amine
SMILESCCCCC(C)NCc1cn[nH]c1
InChIInChI=1S/C10H19N3/c1-3-4-5-9(2)11-6-10-7-12-13-8-10/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyJKBIMEPLYLJLKC-UHFFFAOYSA-N
XLogP2.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-pyrazol-4-ylmethyl)hexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 54593142
CID 54593142
CID 167716177
CID 167716177
CID 22929641
CID 22929641
CID 22929644
CID 22929644
CID 115407117
CID 115407117
CID 54897443
CID 54897443
CID 62403357
CID 62403357
CID 62403540
CID 62403540
CID 62403541
CID 62403541
CID 102869224
CID 102869224
CID 106209289
CID 106209289
CID 113586425
CID 113586425

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)hexan-2-amine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)hexan-2-amine (CID 60999451) is N-(1H-pyrazol-4-ylmethyl)hexan-2-amine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)hexan-2-amine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)hexan-2-amine is CCCCC(C)NCc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)hexan-2-amine?
The InChIKey is JKBIMEPLYLJLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-4-5-9(2)11-6-10-7-12-13-8-10/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)hexan-2-amine?
N-(1H-pyrazol-4-ylmethyl)hexan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)hexan-2-amine is sourced from PubChem (CID 60999451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).