1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea

C19H21N5O2 — CID 126838563

IUPAC1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea
SMILESCn1ncc(C2CC2)c1CNC(=O)Nc1ccc2ccc(=O)n(C)c2c1
InChIInChI=1S/C19H21N5O2/c1-23-16-9-14(7-5-13(16)6-8-18(23)25)22-19(26)20-11-17-15(12-3-4-12)10-21-24(17)2/h5-10,12H,3-4,11H2,1-2H3,(H2,20,22,26)
InChIKeyNLHVERGGCMAPMK-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.47
Rot. Bonds4

About 1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea

1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea (PubChem CID 126838563) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea.

Molecular Properties

Compound Name1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea
PubChem CID126838563
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea
SMILESCn1ncc(C2CC2)c1CNC(=O)Nc1ccc2ccc(=O)n(C)c2c1
InChIInChI=1S/C19H21N5O2/c1-23-16-9-14(7-5-13(16)6-8-18(23)25)22-19(26)20-11-17-15(12-3-4-12)10-21-24(17)2/h5-10,12H,3-4,11H2,1-2H3,(H2,20,22,26)
InChIKeyNLHVERGGCMAPMK-UHFFFAOYSA-N
XLogP2.47
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea?
The IUPAC name of 1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea (CID 126838563) is 1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea.
What is the SMILES notation for 1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea?
The canonical SMILES for 1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea is Cn1ncc(C2CC2)c1CNC(=O)Nc1ccc2ccc(=O)n(C)c2c1.
What is the InChIKey of 1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea?
The InChIKey is NLHVERGGCMAPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-16-9-14(7-5-13(16)6-8-18(23)25)22-19(26)20-11-17-15(12-3-4-12)10-21-24(17)2/h5-10,12H,3-4,11H2,1-2H3,(H2,20,22,26).
What are the key properties of 1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea?
1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea has a molecular weight of 351.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-(1-methyl-2-oxoquinolin-7-yl)urea is sourced from PubChem (CID 126838563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).