N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide

C22H27N5O — CID 97124401

IUPACN-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)n[nH]1
InChIInChI=1S/C22H27N5O/c1-5-15-10-18(26-25-15)21(28)24-19-11-22(3,4)12-20-17(19)13-23-27(20)16-8-6-14(2)7-9-16/h6-10,13,19H,5,11-12H2,1-4H3,(H,24,28)(H,25,26)/t19-/m0/s1
InChIKeyYFVLNIKVRZZCDI-IBGZPJMESA-N
MW377.49 g/mol
LogP3.91
Rot. Bonds4

About N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide

N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 97124401) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID97124401
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)n[nH]1
InChIInChI=1S/C22H27N5O/c1-5-15-10-18(26-25-15)21(28)24-19-11-22(3,4)12-20-17(19)13-23-27(20)16-8-6-14(2)7-9-16/h6-10,13,19H,5,11-12H2,1-4H3,(H,24,28)(H,25,26)/t19-/m0/s1
InChIKeyYFVLNIKVRZZCDI-IBGZPJMESA-N
XLogP3.91
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[(4R)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1H-pyrazole-3-carboxamide
CID 97122154
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 24793131
N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 97141764
N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 42244376
N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 29184538
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide
CID 72935886
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 26317169
1-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea
CID 72900997
1-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-ylurea
CID 97138121
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 42515367
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 42382856
(E)-N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylpent-2-enamide
CID 42595969

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide (CID 97124401) is N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)n[nH]1.
What is the InChIKey of N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is YFVLNIKVRZZCDI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N5O/c1-5-15-10-18(26-25-15)21(28)24-19-11-22(3,4)12-20-17(19)13-23-27(20)16-8-6-14(2)7-9-16/h6-10,13,19H,5,11-12H2,1-4H3,(H,24,28)(H,25,26)/t19-/m0/s1.
What are the key properties of N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide?
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97124401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).