1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine

C22H28N4 — CID 142921175

IUPAC1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(Nc2cc(C(C)(C)C)nn2-c2cccc(CCN)c2)cc1
InChIInChI=1S/C22H28N4/c1-16-8-10-18(11-9-16)24-21-15-20(22(2,3)4)25-26(21)19-7-5-6-17(14-19)12-13-23/h5-11,14-15,24H,12-13,23H2,1-4H3
InChIKeyAPEVYAWNJFKSMR-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.72
Rot. Bonds5

About 1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine

1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine (PubChem CID 142921175) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine
PubChem CID142921175
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(Nc2cc(C(C)(C)C)nn2-c2cccc(CCN)c2)cc1
InChIInChI=1S/C22H28N4/c1-16-8-10-18(11-9-16)24-21-15-20(22(2,3)4)25-26(21)19-7-5-6-17(14-19)12-13-23/h5-11,14-15,24H,12-13,23H2,1-4H3
InChIKeyAPEVYAWNJFKSMR-UHFFFAOYSA-N
XLogP4.72
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
CID 119293994
ethyl 3-[3-[3-tert-butyl-5-[(4-methoxyphenyl)carbamoylamino]pyrazol-1-yl]phenyl]propanoate
CID 58842857
N'-[[3-[3-tert-butyl-5-[(4-methylphenyl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-N,N'-dimethyloxamide;formaldehyde
CID 143177004
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(3-methylphenyl)acetamide
CID 67091317
1-(1,3-benzodioxol-5-yl)-3-[3-tert-butyl-1-[3-(2-hydroxyethyl)phenyl]pyrazol-5-yl]urea
CID 58851662
3-N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2-N-[2-(3-fluorophenyl)ethyl]benzo[g]quinoxaline-2,3-diamine
CID 70167301
3-[3-[3-tert-butyl-5-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]propanoic acid
CID 18449885
ethyl 3-[3-[3-tert-butyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]propanoate
CID 58851631
4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride
CID 119294975
1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-(2-hydroxyethyl)urea
CID 48741757
3-tert-butyl-1-[3-[(methylideneamino)methyl]phenyl]pyrazol-5-amine
CID 148697768
2-[benzyl-[(3,4-difluorophenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide
CID 42735853

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine (CID 142921175) is 1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine is Cc1ccc(Nc2cc(C(C)(C)C)nn2-c2cccc(CCN)c2)cc1.
What is the InChIKey of 1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine?
The InChIKey is APEVYAWNJFKSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-16-8-10-18(11-9-16)24-21-15-20(22(2,3)4)25-26(21)19-7-5-6-17(14-19)12-13-23/h5-11,14-15,24H,12-13,23H2,1-4H3.
What are the key properties of 1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine?
1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine has a molecular weight of 348.49 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)phenyl]-3-tert-butyl-N-(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 142921175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).