5-heptan-3-yl-1H-pyrazol-3-amine

C10H19N3 — CID 43125592

IUPAC5-heptan-3-yl-1H-pyrazol-3-amine
SMILESCCCCC(CC)c1cc(N)n[nH]1
InChIInChI=1S/C10H19N3/c1-3-5-6-8(4-2)9-7-10(11)13-12-9/h7-8H,3-6H2,1-2H3,(H3,11,12,13)
InChIKeyFITREMZWOJSQAT-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.68
Rot. Bonds5

About 5-heptan-3-yl-1H-pyrazol-3-amine

5-heptan-3-yl-1H-pyrazol-3-amine (PubChem CID 43125592) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-heptan-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-heptan-3-yl-1H-pyrazol-3-amine
PubChem CID43125592
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-heptan-3-yl-1H-pyrazol-3-amine
SMILESCCCCC(CC)c1cc(N)n[nH]1
InChIInChI=1S/C10H19N3/c1-3-5-6-8(4-2)9-7-10(11)13-12-9/h7-8H,3-6H2,1-2H3,(H3,11,12,13)
InChIKeyFITREMZWOJSQAT-UHFFFAOYSA-N
XLogP2.68
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-heptan-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-heptan-3-yl-1H-pyrazol-3-amine (CID 43125592) is 5-heptan-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-heptan-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-heptan-3-yl-1H-pyrazol-3-amine is CCCCC(CC)c1cc(N)n[nH]1.
What is the InChIKey of 5-heptan-3-yl-1H-pyrazol-3-amine?
The InChIKey is FITREMZWOJSQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-5-6-8(4-2)9-7-10(11)13-12-9/h7-8H,3-6H2,1-2H3,(H3,11,12,13).
What are the key properties of 5-heptan-3-yl-1H-pyrazol-3-amine?
5-heptan-3-yl-1H-pyrazol-3-amine has a molecular weight of 181.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 43125592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).