N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine

C14H18ClN3 — CID 43547308

IUPACN-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCCC(Nc1c(C)n[nH]c1C)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-4-13(11-5-7-12(15)8-6-11)16-14-9(2)17-18-10(14)3/h5-8,13,16H,4H2,1-3H3,(H,17,18)
InChIKeyKVHBEACLQCNOES-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.24
Rot. Bonds4

About N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43547308) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43547308
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCCC(Nc1c(C)n[nH]c1C)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-4-13(11-5-7-12(15)8-6-11)16-14-9(2)17-18-10(14)3/h5-8,13,16H,4H2,1-3H3,(H,17,18)
InChIKeyKVHBEACLQCNOES-UHFFFAOYSA-N
XLogP4.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547306
N-[1-(4-ethylphenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547100
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]propyl]phenol
CID 43547277
N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline
CID 63448407
N-[(1S)-1-(4-chlorophenyl)propyl]-6-methylpyridazin-3-amine
CID 146389902
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275711
4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine
CID 43741160
3-bromo-N-[1-(4-chlorophenyl)propyl]-5-methylaniline
CID 107582181
N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline
CID 63476825
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 97333993
3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678667

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 43547308) is N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine is CCC(Nc1c(C)n[nH]c1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is KVHBEACLQCNOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-4-13(11-5-7-12(15)8-6-11)16-14-9(2)17-18-10(14)3/h5-8,13,16H,4H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 263.77 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43547308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).