(4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C19H22FN3O — CID 96997674

IUPAC(4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCN(C(=O)[C@H]1CCCc2[nH]ncc21)[C@@H](c1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H22FN3O/c1-23(18(12-5-6-12)13-7-9-14(20)10-8-13)19(24)15-3-2-4-17-16(15)11-21-22-17/h7-12,15,18H,2-6H2,1H3,(H,21,22)/t15-,18+/m0/s1
InChIKeyIYZFKQSIYCVOLP-MAUKXSAKSA-N
MW327.40 g/mol
LogP3.58
Rot. Bonds4

About (4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

(4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 96997674) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is (4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID96997674
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name(4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCN(C(=O)[C@H]1CCCc2[nH]ncc21)[C@@H](c1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H22FN3O/c1-23(18(12-5-6-12)13-7-9-14(20)10-8-13)19(24)15-3-2-4-17-16(15)11-21-22-17/h7-12,15,18H,2-6H2,1H3,(H,21,22)/t15-,18+/m0/s1
InChIKeyIYZFKQSIYCVOLP-MAUKXSAKSA-N
XLogP3.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide with MolForge

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Related Compounds

methyl (2R)-2-(4-fluorophenyl)-3-[[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]amino]propanoate
CID 124624899
N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 136533598
(4S)-N-methyl-N-[(2-prop-2-ynoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 97224000
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 71850253
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 131963475
N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide
CID 97223994
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CID 96528892
N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide
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N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 71970935
N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 96997676
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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of (4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 96997674) is (4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for (4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for (4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is CN(C(=O)[C@H]1CCCc2[nH]ncc21)[C@@H](c1ccc(F)cc1)C1CC1.
What is the InChIKey of (4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is IYZFKQSIYCVOLP-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-23(18(12-5-6-12)13-7-9-14(20)10-8-13)19(24)15-3-2-4-17-16(15)11-21-22-17/h7-12,15,18H,2-6H2,1H3,(H,21,22)/t15-,18+/m0/s1.
What are the key properties of (4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
(4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 96997674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).