1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine

C8H14ClN3 — CID 65025560

IUPAC1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
SMILESCC(CCl)NCCn1cccn1
InChIInChI=1S/C8H14ClN3/c1-8(7-9)10-4-6-12-5-2-3-11-12/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyNUXGTPQYZSOYDA-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.10
Rot. Bonds5

About 1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine

1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine (PubChem CID 65025560) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
PubChem CID65025560
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
SMILESCC(CCl)NCCn1cccn1
InChIInChI=1S/C8H14ClN3/c1-8(7-9)10-4-6-12-5-2-3-11-12/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyNUXGTPQYZSOYDA-UHFFFAOYSA-N
XLogP1.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
3-(2-pyrazol-1-ylethylamino)butanamide
CID 115676497
2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine
CID 61459650
1-iodo-3-methyl-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 107859401
N-(2-pyrazol-1-ylethyl)heptan-4-amine
CID 61460010
2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol
CID 65337680
1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459875
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459928
4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol
CID 104891912
4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine
CID 115888843
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine?
The IUPAC name of 1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine (CID 65025560) is 1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine.
What is the SMILES notation for 1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine?
The canonical SMILES for 1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine is CC(CCl)NCCn1cccn1.
What is the InChIKey of 1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine?
The InChIKey is NUXGTPQYZSOYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3/c1-8(7-9)10-4-6-12-5-2-3-11-12/h2-3,5,8,10H,4,6-7H2,1H3.
What are the key properties of 1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine?
1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine has a molecular weight of 187.67 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine is sourced from PubChem (CID 65025560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).