N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide

C16H18FN3O3 — CID 110164943

IUPACN-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(-c2ccccc2F)n[nH]1)[C@@H]1CC[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H18FN3O3/c1-20(13-6-7-14(21)15(13)22)16(23)12-8-11(18-19-12)9-4-2-3-5-10(9)17/h2-5,8,13-15,21-22H,6-7H2,1H3,(H,18,19)/t13-,14-,15-/m1/s1
InChIKeyZZCJKSOPDDSVLR-RBSFLKMASA-N
MW319.34 g/mol
LogP1.17
Rot. Bonds3

About N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide

N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 110164943) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID110164943
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(-c2ccccc2F)n[nH]1)[C@@H]1CC[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H18FN3O3/c1-20(13-6-7-14(21)15(13)22)16(23)12-8-11(18-19-12)9-4-2-3-5-10(9)17/h2-5,8,13-15,21-22H,6-7H2,1H3,(H,18,19)/t13-,14-,15-/m1/s1
InChIKeyZZCJKSOPDDSVLR-RBSFLKMASA-N
XLogP1.17
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide (CID 110164943) is N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide is CN(C(=O)c1cc(-c2ccccc2F)n[nH]1)[C@@H]1CC[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is ZZCJKSOPDDSVLR-RBSFLKMASA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-20(13-6-7-14(21)15(13)22)16(23)12-8-11(18-19-12)9-4-2-3-5-10(9)17/h2-5,8,13-15,21-22H,6-7H2,1H3,(H,18,19)/t13-,14-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide?
N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110164943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).