N-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide

C19H19N5O — CID 73292749

IUPACN-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CC1CC1C2
InChIInChI=1S/C19H19N5O/c25-19(18-16-7-13-6-14(13)8-17(16)22-23-18)21-15-9-20-24(11-15)10-12-4-2-1-3-5-12/h1-5,9,11,13-14H,6-8,10H2,(H,21,25)(H,22,23)
InChIKeySPABBLGEKOWLOG-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.64
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide (PubChem CID 73292749) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide
PubChem CID73292749
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC NameN-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CC1CC1C2
InChIInChI=1S/C19H19N5O/c25-19(18-16-7-13-6-14(13)8-17(16)22-23-18)21-15-9-20-24(11-15)10-12-4-2-1-3-5-12/h1-5,9,11,13-14H,6-8,10H2,(H,21,25)(H,22,23)
InChIKeySPABBLGEKOWLOG-UHFFFAOYSA-N
XLogP2.64
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide with MolForge

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Related Compounds

Atuliflapon
CID 122678117
N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71267243
Gne-9822
CID 74983355
(4as,5ar)-N-{1-[(R)-[(2r)-1,1-Dioxidotetrahydro-2h-Thiopyran-2-Yl](Phenyl)methyl]-1h-Pyrazol-4-Yl}-5,5-Difluoro-5a-Methyl-1,4,4a,5,5a,6-Hexahydrocyclopropa[f]indazole-3-Carboxamide
CID 91754231
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-2h-Indazole-3-Carboxamide
CID 3722581
IL-17 modulator 4
CID 153616520
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259641
5a-methyl-N-[1-(2-methylsulfonyl-1-pyridin-3-ylethyl)pyrazol-4-yl]-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazole-3-carboxamide
CID 73293781
N-(1-benzylpyrazol-4-yl)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxamide
CID 73293782
N-[1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 73294162

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide (CID 73292749) is N-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CC1CC1C2.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide?
The InChIKey is SPABBLGEKOWLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(18-16-7-13-6-14(13)8-17(16)22-23-18)21-15-9-20-24(11-15)10-12-4-2-1-3-5-12/h1-5,9,11,13-14H,6-8,10H2,(H,21,25)(H,22,23).
What are the key properties of N-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide is sourced from PubChem (CID 73292749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).