1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea

C19H16FN5O — CID 42874335

IUPAC1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
SMILESCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H16FN5O/c1-2-16-18(17(25-24-16)13-6-4-7-14(20)10-13)23-19(26)22-15-8-3-5-12(9-15)11-21/h3-10H,2H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyWFIBPJYJZDJNTR-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.29
Rot. Bonds4

About 1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea

1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea (PubChem CID 42874335) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
PubChem CID42874335
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
SMILESCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H16FN5O/c1-2-16-18(17(25-24-16)13-6-4-7-14(20)10-13)23-19(26)22-15-8-3-5-12(9-15)11-21/h3-10H,2H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyWFIBPJYJZDJNTR-UHFFFAOYSA-N
XLogP4.29
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874332
4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686304
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42687479
1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea
CID 42874338
1-(3-chlorophenyl)-3-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874339
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
CID 42874098
1-(3-cyanophenyl)-3-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]urea
CID 44525377
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 42686326
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-cyanophenyl)urea
CID 104620477
(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005134

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea?
The IUPAC name of 1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea (CID 42874335) is 1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea is CCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea?
The InChIKey is WFIBPJYJZDJNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-2-16-18(17(25-24-16)13-6-4-7-14(20)10-13)23-19(26)22-15-8-3-5-12(9-15)11-21/h3-10H,2H2,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of 1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea?
1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea has a molecular weight of 349.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea is sourced from PubChem (CID 42874335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).