5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine

C34H33N5 — CID 59696037

IUPAC5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine
SMILESCCCCCn1c2ccccc2c2cc(/C=N\N(c3ccccc3)c3cc(C)n(-c4ccccc4)n3)ccc21
InChIInChI=1S/C34H33N5/c1-3-4-13-22-37-32-19-12-11-18-30(32)31-24-27(20-21-33(31)37)25-35-39(29-16-9-6-10-17-29)34-23-26(2)38(36-34)28-14-7-5-8-15-28/h5-12,14-21,23-25H,3-4,13,22H2,1-2H3/b35-25-
InChIKeyHTWOMVFFRMNASI-CKWSZQMZSA-N
MW511.67 g/mol
LogP8.65
Rot. Bonds9

About 5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine

5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine (PubChem CID 59696037) has the molecular formula C34H33N5 and a molecular weight of 511.67 g/mol. Its IUPAC name is 5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine
PubChem CID59696037
Molecular FormulaC34H33N5
Molecular Weight511.67 g/mol
Exact Mass511.27
IUPAC Name5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine
SMILESCCCCCn1c2ccccc2c2cc(/C=N\N(c3ccccc3)c3cc(C)n(-c4ccccc4)n3)ccc21
InChIInChI=1S/C34H33N5/c1-3-4-13-22-37-32-19-12-11-18-30(32)31-24-27(20-21-33(31)37)25-35-39(29-16-9-6-10-17-29)34-23-26(2)38(36-34)28-14-7-5-8-15-28/h5-12,14-21,23-25H,3-4,13,22H2,1-2H3/b35-25-
InChIKeyHTWOMVFFRMNASI-CKWSZQMZSA-N
XLogP8.65
TPSA38.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline
CID 72620759
N'-[(E)-(9-heptylcarbazol-3-yl)methylideneamino]-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-N,N'-diphenylpentane-1,5-diamine
CID 21057530
N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline
CID 54328629
N,N'-bis[(E)-(9-butylcarbazol-3-yl)methylideneamino]-N,N'-diphenylhexane-1,6-diamine
CID 20734223
N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline
CID 20650346
4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine
CID 20761205
N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline
CID 58681613
N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline
CID 20719215
N-[(E)-(10-butyl-9H-acridin-2-yl)methylideneamino]-N'-[(E)-(9-butylcarbazol-3-yl)methylideneamino]-N,N'-diphenylhexane-1,6-diamine
CID 21057526
benzene;9-octylcarbazole
CID 175067369
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 14982033

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine?
The IUPAC name of 5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine (CID 59696037) is 5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine.
What is the SMILES notation for 5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine?
The canonical SMILES for 5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine is CCCCCn1c2ccccc2c2cc(/C=N\N(c3ccccc3)c3cc(C)n(-c4ccccc4)n3)ccc21.
What is the InChIKey of 5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine?
The InChIKey is HTWOMVFFRMNASI-CKWSZQMZSA-N. The full InChI is InChI=1S/C34H33N5/c1-3-4-13-22-37-32-19-12-11-18-30(32)31-24-27(20-21-33(31)37)25-35-39(29-16-9-6-10-17-29)34-23-26(2)38(36-34)28-14-7-5-8-15-28/h5-12,14-21,23-25H,3-4,13,22H2,1-2H3/b35-25-.
What are the key properties of 5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine?
5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine has a molecular weight of 511.67 g/mol, XLogP of 8.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine is sourced from PubChem (CID 59696037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).