N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide

C21H21N3O — CID 18415804

IUPACN-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C21H21N3O/c1-13(2)11-19(25)22-16-9-7-14(8-10-16)20-18-12-15-5-3-4-6-17(15)21(18)24-23-20/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPTSQNEONFPYODF-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.63
Rot. Bonds4

About N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide

N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide (PubChem CID 18415804) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide
PubChem CID18415804
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C21H21N3O/c1-13(2)11-19(25)22-16-9-7-14(8-10-16)20-18-12-15-5-3-4-6-17(15)21(18)24-23-20/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPTSQNEONFPYODF-UHFFFAOYSA-N
XLogP4.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]benzamide
CID 18415776
N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]piperidine-1-carboxamide
CID 18415820
acetic acid;1-(diethylamino)propan-2-yl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate
CID 18415837
2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate
CID 18415966
N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide
CID 18415871
2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide
CID 18415855
2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide
CID 18416016
CID 57297707
CID 57297707
3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 110720173
4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide
CID 18415999
1-[4-(diethylamino)butyl]-1-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]urea
CID 70015500
3-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-oxo-4H-isochromene-3-carboxamide
CID 134039899

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide (CID 18415804) is N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1.
What is the InChIKey of N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide?
The InChIKey is PTSQNEONFPYODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-13(2)11-19(25)22-16-9-7-14(8-10-16)20-18-12-15-5-3-4-6-17(15)21(18)24-23-20/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide?
N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide has a molecular weight of 331.42 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 18415804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).