1-pyrazol-1-ylpentan-3-amine

C8H15N3 — CID 130305339

IUPAC1-pyrazol-1-ylpentan-3-amine
SMILESCCC(N)CCn1cccn1
InChIInChI=1S/C8H15N3/c1-2-8(9)4-7-11-6-3-5-10-11/h3,5-6,8H,2,4,7,9H2,1H3
InChIKeyIXBOGHYHIZGTMO-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.01
Rot. Bonds4

About 1-pyrazol-1-ylpentan-3-amine

1-pyrazol-1-ylpentan-3-amine (PubChem CID 130305339) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-pyrazol-1-ylpentan-3-amine.

Molecular Properties

Compound Name1-pyrazol-1-ylpentan-3-amine
PubChem CID130305339
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-pyrazol-1-ylpentan-3-amine
SMILESCCC(N)CCn1cccn1
InChIInChI=1S/C8H15N3/c1-2-8(9)4-7-11-6-3-5-10-11/h3,5-6,8H,2,4,7,9H2,1H3
InChIKeyIXBOGHYHIZGTMO-UHFFFAOYSA-N
XLogP1.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-4-fluoro-3-methoxybutyl]pyrazole
CID 134462774
methyl 2-(propan-2-ylamino)-4-pyrazol-1-ylbutanoate
CID 63040313
(2S)-1-methoxy-4-pyrazol-1-ylbutan-2-ol
CID 134462752
ethyl 2-(propan-2-ylamino)-4-pyrazol-1-ylbutanoate
CID 55144911
(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 103952125
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260
3-(2-pyrazol-1-ylethylsulfanyl)butan-1-amine
CID 66230492
N-(2-pyrazol-1-ylethyl)heptan-4-amine
CID 61460010
2-(propylamino)-4-pyrazol-1-ylbutanamide
CID 63039561
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide
CID 61460950
1-pentylpyrazole;propane
CID 156859541
N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine
CID 115977708

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-ylpentan-3-amine?
The IUPAC name of 1-pyrazol-1-ylpentan-3-amine (CID 130305339) is 1-pyrazol-1-ylpentan-3-amine.
What is the SMILES notation for 1-pyrazol-1-ylpentan-3-amine?
The canonical SMILES for 1-pyrazol-1-ylpentan-3-amine is CCC(N)CCn1cccn1.
What is the InChIKey of 1-pyrazol-1-ylpentan-3-amine?
The InChIKey is IXBOGHYHIZGTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-8(9)4-7-11-6-3-5-10-11/h3,5-6,8H,2,4,7,9H2,1H3.
What are the key properties of 1-pyrazol-1-ylpentan-3-amine?
1-pyrazol-1-ylpentan-3-amine has a molecular weight of 153.23 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-ylpentan-3-amine is sourced from PubChem (CID 130305339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).