1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea

C19H24FN5O — CID 74244035

IUPAC1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea
SMILESCn1nc(C2CC2)cc1NC(=O)NCC1CCN(c2ccccc2F)C1
InChIInChI=1S/C19H24FN5O/c1-24-18(10-16(23-24)14-6-7-14)22-19(26)21-11-13-8-9-25(12-13)17-5-3-2-4-15(17)20/h2-5,10,13-14H,6-9,11-12H2,1H3,(H2,21,22,26)
InChIKeyCSXALKVXENCWFZ-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.08
Rot. Bonds5

About 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea

1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea (PubChem CID 74244035) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea
PubChem CID74244035
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea
SMILESCn1nc(C2CC2)cc1NC(=O)NCC1CCN(c2ccccc2F)C1
InChIInChI=1S/C19H24FN5O/c1-24-18(10-16(23-24)14-6-7-14)22-19(26)21-11-13-8-9-25(12-13)17-5-3-2-4-15(17)20/h2-5,10,13-14H,6-9,11-12H2,1H3,(H2,21,22,26)
InChIKeyCSXALKVXENCWFZ-UHFFFAOYSA-N
XLogP3.08
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea (CID 74244035) is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea is Cn1nc(C2CC2)cc1NC(=O)NCC1CCN(c2ccccc2F)C1.
What is the InChIKey of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
The InChIKey is CSXALKVXENCWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-24-18(10-16(23-24)14-6-7-14)22-19(26)21-11-13-8-9-25(12-13)17-5-3-2-4-15(17)20/h2-5,10,13-14H,6-9,11-12H2,1H3,(H2,21,22,26).
What are the key properties of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea has a molecular weight of 357.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 74244035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).