1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea

C17H18FN5O — CID 167949731

IUPAC1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea
SMILESCc1cc(NC(=O)NCc2c[nH]c3ccc(F)cc23)nn1C1CC1
InChIInChI=1S/C17H18FN5O/c1-10-6-16(22-23(10)13-3-4-13)21-17(24)20-9-11-8-19-15-5-2-12(18)7-14(11)15/h2,5-8,13,19H,3-4,9H2,1H3,(H2,20,21,22,24)
InChIKeyBUGPSSPFPHSKNN-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.47
Rot. Bonds4

About 1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea

1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea (PubChem CID 167949731) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea
PubChem CID167949731
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea
SMILESCc1cc(NC(=O)NCc2c[nH]c3ccc(F)cc23)nn1C1CC1
InChIInChI=1S/C17H18FN5O/c1-10-6-16(22-23(10)13-3-4-13)21-17(24)20-9-11-8-19-15-5-2-12(18)7-14(11)15/h2,5-8,13,19H,3-4,9H2,1H3,(H2,20,21,22,24)
InChIKeyBUGPSSPFPHSKNN-UHFFFAOYSA-N
XLogP3.47
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea with MolForge

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Related Compounds

N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide
CID 166339302
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine
CID 117174955
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 110700233
2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425118
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea
CID 111423653
methyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate
CID 167870458
N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209328

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea?
The IUPAC name of 1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea (CID 167949731) is 1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea.
What is the SMILES notation for 1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea?
The canonical SMILES for 1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea is Cc1cc(NC(=O)NCc2c[nH]c3ccc(F)cc23)nn1C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea?
The InChIKey is BUGPSSPFPHSKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-10-6-16(22-23(10)13-3-4-13)21-17(24)20-9-11-8-19-15-5-2-12(18)7-14(11)15/h2,5-8,13,19H,3-4,9H2,1H3,(H2,20,21,22,24).
What are the key properties of 1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea?
1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea has a molecular weight of 327.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea is sourced from PubChem (CID 167949731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).