N-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine

C25H24N4 — CID 91506079

IUPACN-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine
SMILESc1ccc(-c2cccc(-c3cc(Nc4cccc(CNC5CC5)c4)n[nH]3)c2)cc1
InChIInChI=1S/C25H24N4/c1-2-7-19(8-3-1)20-9-5-10-21(15-20)24-16-25(29-28-24)27-23-11-4-6-18(14-23)17-26-22-12-13-22/h1-11,14-16,22,26H,12-13,17H2,(H2,27,28,29)
InChIKeySYGQXAYYIBVJLN-UHFFFAOYSA-N
MW380.50 g/mol
LogP5.74
Rot. Bonds7

About N-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine

N-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine (PubChem CID 91506079) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine
PubChem CID91506079
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC NameN-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine
SMILESc1ccc(-c2cccc(-c3cc(Nc4cccc(CNC5CC5)c4)n[nH]3)c2)cc1
InChIInChI=1S/C25H24N4/c1-2-7-19(8-3-1)20-9-5-10-21(15-20)24-16-25(29-28-24)27-23-11-4-6-18(14-23)17-26-22-12-13-22/h1-11,14-16,22,26H,12-13,17H2,(H2,27,28,29)
InChIKeySYGQXAYYIBVJLN-UHFFFAOYSA-N
XLogP5.74
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine
CID 62111862
5-chloro-4-[4-[3-[4-[(cyclopropylamino)methyl]anilino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
CID 135424514
N-[[3-(1H-imidazol-5-yl)phenyl]methyl]cycloheptanamine
CID 10778413
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
3-(anilinomethyl)-N-cyclopropylaniline
CID 143695997
N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61239688
4,4-dimethyl-N-[[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]cyclohexan-1-amine
CID 58276644
2-N,6-N-bis(5-phenyl-1H-pyrazol-3-yl)pyridine-2,6-diamine
CID 139220875
N-[(4-naphthalen-2-ylphenyl)methyl]cyclopropanamine
CID 63424074
N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 63048660
3-[(cyclobutylamino)methyl]phenol
CID 62416890

Frequently Asked Questions

What is the IUPAC name of N-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of N-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine (CID 91506079) is N-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for N-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine is c1ccc(-c2cccc(-c3cc(Nc4cccc(CNC5CC5)c4)n[nH]3)c2)cc1.
What is the InChIKey of N-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine?
The InChIKey is SYGQXAYYIBVJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c1-2-7-19(8-3-1)20-9-5-10-21(15-20)24-16-25(29-28-24)27-23-11-4-6-18(14-23)17-26-22-12-13-22/h1-11,14-16,22,26H,12-13,17H2,(H2,27,28,29).
What are the key properties of N-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine?
N-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine has a molecular weight of 380.50 g/mol, XLogP of 5.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(cyclopropylamino)methyl]phenyl]-5-(3-phenylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 91506079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).