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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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).