4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline

C19H22N4 — CID 89020468

IUPAC4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline
SMILESCNCC(C)(c1ccc(N)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H22N4/c1-19(13-21-2,17-7-9-18(20)10-8-17)16-5-3-14(4-6-16)15-11-22-23-12-15/h3-12,21H,13,20H2,1-2H3,(H,22,23)
InChIKeyLRAPYVXUMGSCQB-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.18
Rot. Bonds5

About 4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline

4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline (PubChem CID 89020468) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline.

Molecular Properties

Compound Name4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline
PubChem CID89020468
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline
SMILESCNCC(C)(c1ccc(N)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H22N4/c1-19(13-21-2,17-7-9-18(20)10-8-17)16-5-3-14(4-6-16)15-11-22-23-12-15/h3-12,21H,13,20H2,1-2H3,(H,22,23)
InChIKeyLRAPYVXUMGSCQB-UHFFFAOYSA-N
XLogP3.18
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-iodophenyl)-2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol
CID 143374140
3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 11990842
N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464260
1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 151696156
methanamine;4-phenyl-1H-pyrazole
CID 174608925
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane
CID 143374058
4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol
CID 174505000
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
4-(4-bromophenyl)-1H-pyrazole;tert-butyl formate
CID 174601966
4-(1H-pyrazol-4-yl)benzenethiol
CID 175034762

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline?
The IUPAC name of 4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline (CID 89020468) is 4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline.
What is the SMILES notation for 4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline?
The canonical SMILES for 4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline is CNCC(C)(c1ccc(N)cc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline?
The InChIKey is LRAPYVXUMGSCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-19(13-21-2,17-7-9-18(20)10-8-17)16-5-3-14(4-6-16)15-11-22-23-12-15/h3-12,21H,13,20H2,1-2H3,(H,22,23).
What are the key properties of 4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline?
4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline has a molecular weight of 306.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline is sourced from PubChem (CID 89020468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).