N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide

C18H17FN4OS — CID 155951280

IUPACN-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1-c1ccccc1F)c1csc(C2CC2)n1
InChIInChI=1S/C18H17FN4OS/c1-10(15-9-25-18(22-15)11-6-7-11)21-17(24)13-8-20-23-16(13)12-4-2-3-5-14(12)19/h2-5,8-11H,6-7H2,1H3,(H,20,23)(H,21,24)
InChIKeyJUNZPDSDAQDGBH-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.04
Rot. Bonds5

About N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide

N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 155951280) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID155951280
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC NameN-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1-c1ccccc1F)c1csc(C2CC2)n1
InChIInChI=1S/C18H17FN4OS/c1-10(15-9-25-18(22-15)11-6-7-11)21-17(24)13-8-20-23-16(13)12-4-2-3-5-14(12)19/h2-5,8-11H,6-7H2,1H3,(H,20,23)(H,21,24)
InChIKeyJUNZPDSDAQDGBH-UHFFFAOYSA-N
XLogP4.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 119628857
N-(1,1-dioxothian-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 75378460
5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 120599770
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562475
N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 166234038
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 155948751
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539156
5-(2-chlorophenyl)-N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrazole-4-carboxamide
CID 155946974
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 120658572
(3aR,7aR)-N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 129434872
5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 25330536

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 155951280) is N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide is CC(NC(=O)c1cn[nH]c1-c1ccccc1F)c1csc(C2CC2)n1.
What is the InChIKey of N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is JUNZPDSDAQDGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-10(15-9-25-18(22-15)11-6-7-11)21-17(24)13-8-20-23-16(13)12-4-2-3-5-14(12)19/h2-5,8-11H,6-7H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 155951280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).