5-propyl-4,5-dihydro-1H-pyrazol-3-amine

C6H13N3 — CID 123707710

IUPAC5-propyl-4,5-dihydro-1H-pyrazol-3-amine
SMILESCCCC1CC(N)=NN1
InChIInChI=1S/C6H13N3/c1-2-3-5-4-6(7)9-8-5/h5,8H,2-4H2,1H3,(H2,7,9)
InChIKeyWQEDBZCHMYXWEZ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.42
Rot. Bonds2

About 5-propyl-4,5-dihydro-1H-pyrazol-3-amine

5-propyl-4,5-dihydro-1H-pyrazol-3-amine (PubChem CID 123707710) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-propyl-4,5-dihydro-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-propyl-4,5-dihydro-1H-pyrazol-3-amine
PubChem CID123707710
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name5-propyl-4,5-dihydro-1H-pyrazol-3-amine
SMILESCCCC1CC(N)=NN1
InChIInChI=1S/C6H13N3/c1-2-3-5-4-6(7)9-8-5/h5,8H,2-4H2,1H3,(H2,7,9)
InChIKeyWQEDBZCHMYXWEZ-UHFFFAOYSA-N
XLogP0.42
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4,5-dihydro-1H-pyrazol-3-amine
CID 154018859
(4S)-4-propylazetidin-2-one
CID 18603540
2-propylaziridine
CID 544792
(4S)-4-propylazetidin-2-one;hydrochloride
CID 66909952
(2R)-2,5-dipropylpyrrolidine
CID 143543976
3-propyl-4,5-dihydro-1H-pyrazol-5-ol
CID 135138749
3-butyl-4,5-dihydro-1H-pyrazole-5-carbaldehyde
CID 174378274
(3S)-3-propyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine
CID 10198539
6-propylpiperidine-2,3-dione
CID 153356626
2-oxo-6-propylpiperidine-4-carboxylic acid
CID 83636459
2-(4-chlorophenyl)-3-propyl-3,4-dihydropyrazol-5-amine
CID 13309527
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548

Frequently Asked Questions

What is the IUPAC name of 5-propyl-4,5-dihydro-1H-pyrazol-3-amine?
The IUPAC name of 5-propyl-4,5-dihydro-1H-pyrazol-3-amine (CID 123707710) is 5-propyl-4,5-dihydro-1H-pyrazol-3-amine.
What is the SMILES notation for 5-propyl-4,5-dihydro-1H-pyrazol-3-amine?
The canonical SMILES for 5-propyl-4,5-dihydro-1H-pyrazol-3-amine is CCCC1CC(N)=NN1.
What is the InChIKey of 5-propyl-4,5-dihydro-1H-pyrazol-3-amine?
The InChIKey is WQEDBZCHMYXWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-2-3-5-4-6(7)9-8-5/h5,8H,2-4H2,1H3,(H2,7,9).
What are the key properties of 5-propyl-4,5-dihydro-1H-pyrazol-3-amine?
5-propyl-4,5-dihydro-1H-pyrazol-3-amine has a molecular weight of 127.19 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-4,5-dihydro-1H-pyrazol-3-amine is sourced from PubChem (CID 123707710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).