4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide

C19H23FN4O3 — CID 118714252

IUPAC4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O3/c1-27-14-8-6-13(7-9-14)22-19(26)18-16(11-21-24-18)23-17(25)10-12-4-2-3-5-15(12)20/h2-5,11,13-14H,6-10H2,1H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyIZJDKDDRAYOTGH-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.42
Rot. Bonds6

About 4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide

4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 118714252) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID118714252
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O3/c1-27-14-8-6-13(7-9-14)22-19(26)18-16(11-21-24-18)23-17(25)10-12-4-2-3-5-15(12)20/h2-5,11,13-14H,6-10H2,1H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyIZJDKDDRAYOTGH-UHFFFAOYSA-N
XLogP2.42
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 118714252) is 4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is COC1CCC(NC(=O)c2[nH]ncc2NC(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is IZJDKDDRAYOTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-27-14-8-6-13(7-9-14)22-19(26)18-16(11-21-24-18)23-17(25)10-12-4-2-3-5-15(12)20/h2-5,11,13-14H,6-10H2,1H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of 4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).