N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide

C23H29N5O — CID 24792000

IUPACN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)nn1C
InChIInChI=1S/C23H29N5O/c1-15-13-20(26-27(15)5)22(29)25-19-7-6-8-21-18(19)14-24-28(21)17-11-9-16(10-12-17)23(2,3)4/h9-14,19H,6-8H2,1-5H3,(H,25,29)
InChIKeySETHRHYPFROKGS-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.02
Rot. Bonds3

About N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 24792000) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID24792000
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)nn1C
InChIInChI=1S/C23H29N5O/c1-15-13-20(26-27(15)5)22(29)25-19-7-6-8-21-18(19)14-24-28(21)17-11-9-16(10-12-17)23(2,3)4/h9-14,19H,6-8H2,1-5H3,(H,25,29)
InChIKeySETHRHYPFROKGS-UHFFFAOYSA-N
XLogP4.02
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 24792000) is N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)nn1C.
What is the InChIKey of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is SETHRHYPFROKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-15-13-20(26-27(15)5)22(29)25-19-7-6-8-21-18(19)14-24-28(21)17-11-9-16(10-12-17)23(2,3)4/h9-14,19H,6-8H2,1-5H3,(H,25,29).
What are the key properties of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 24792000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).