3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine

C11H20ClN3 — CID 115068517

IUPAC3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine
SMILESCC(C)(C)Cn1ncc(CCCN)c1Cl
InChIInChI=1S/C11H20ClN3/c1-11(2,3)8-15-10(12)9(7-14-15)5-4-6-13/h7H,4-6,8,13H2,1-3H3
InChIKeyGJXRBGOJJBRDOW-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.47
Rot. Bonds4

About 3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine

3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine (PubChem CID 115068517) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is 3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine
PubChem CID115068517
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC Name3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine
SMILESCC(C)(C)Cn1ncc(CCCN)c1Cl
InChIInChI=1S/C11H20ClN3/c1-11(2,3)8-15-10(12)9(7-14-15)5-4-6-13/h7H,4-6,8,13H2,1-3H3
InChIKeyGJXRBGOJJBRDOW-UHFFFAOYSA-N
XLogP2.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]methanamine
CID 115068515
3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 115068649
3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 115068648
2-(5-chloro-1-propylpyrazol-4-yl)ethanamine
CID 115017423
3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine
CID 83879605
3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 115021879
4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
CID 115069683
3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62039586
3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine
CID 115068487
3-[1-[(4-bromophenyl)methyl]-5-methylpyrazol-4-yl]propan-1-amine
CID 63276856
3-[1-[(2-bromophenyl)methyl]-5-methylpyrazol-4-yl]propan-1-amine
CID 63276495
3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine
CID 105478364

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine (CID 115068517) is 3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine is CC(C)(C)Cn1ncc(CCCN)c1Cl.
What is the InChIKey of 3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine?
The InChIKey is GJXRBGOJJBRDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3/c1-11(2,3)8-15-10(12)9(7-14-15)5-4-6-13/h7H,4-6,8,13H2,1-3H3.
What are the key properties of 3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine?
3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine has a molecular weight of 229.75 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 115068517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).