4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine

C11H12ClN3 — CID 13290234

IUPAC4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine
SMILESCN(C)c1[nH]ncc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3/c1-15(2)11-10(7-13-14-11)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,14)
InChIKeyPQJWHUKJGPERDG-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.80
Rot. Bonds2

About 4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine

4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine (PubChem CID 13290234) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine
PubChem CID13290234
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine
SMILESCN(C)c1[nH]ncc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3/c1-15(2)11-10(7-13-14-11)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,14)
InChIKeyPQJWHUKJGPERDG-UHFFFAOYSA-N
XLogP2.80
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine (CID 13290234) is 4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine is CN(C)c1[nH]ncc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine?
The InChIKey is PQJWHUKJGPERDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-15(2)11-10(7-13-14-11)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,14).
What are the key properties of 4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine?
4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine has a molecular weight of 221.69 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N,N-dimethyl-1H-pyrazol-5-amine is sourced from PubChem (CID 13290234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).