1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea

C19H21N5O — CID 72929088

IUPAC1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea
SMILESCc1ccc(NC(=O)NCC2(Cn3cccn3)CC2)c2cccnc12
InChIInChI=1S/C19H21N5O/c1-14-5-6-16(15-4-2-9-20-17(14)15)23-18(25)21-12-19(7-8-19)13-24-11-3-10-22-24/h2-6,9-11H,7-8,12-13H2,1H3,(H2,21,23,25)
InChIKeyKWNDJTPGFLABNP-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.34
Rot. Bonds5

About 1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea

1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea (PubChem CID 72929088) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea
PubChem CID72929088
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea
SMILESCc1ccc(NC(=O)NCC2(Cn3cccn3)CC2)c2cccnc12
InChIInChI=1S/C19H21N5O/c1-14-5-6-16(15-4-2-9-20-17(14)15)23-18(25)21-12-19(7-8-19)13-24-11-3-10-22-24/h2-6,9-11H,7-8,12-13H2,1H3,(H2,21,23,25)
InChIKeyKWNDJTPGFLABNP-UHFFFAOYSA-N
XLogP3.34
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea with MolForge

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Related Compounds

2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
CID 47033502
1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 72861388
1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea
CID 29184093
3,6,7-trimethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 70754476
1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 30897900
5-ethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 122563230
2-methoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 122568384
2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91779095
3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide
CID 122559752
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91783003
1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea
CID 51945829
(2R)-N-(8-methylquinolin-5-yl)-2-propylsulfonylpropanamide
CID 94669801

Frequently Asked Questions

What is the IUPAC name of 1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea (CID 72929088) is 1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea is Cc1ccc(NC(=O)NCC2(Cn3cccn3)CC2)c2cccnc12.
What is the InChIKey of 1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea?
The InChIKey is KWNDJTPGFLABNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-5-6-16(15-4-2-9-20-17(14)15)23-18(25)21-12-19(7-8-19)13-24-11-3-10-22-24/h2-6,9-11H,7-8,12-13H2,1H3,(H2,21,23,25).
What are the key properties of 1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea?
1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea has a molecular weight of 335.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 72929088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).