3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea

C19H25ClN4O2 — CID 126427974

IUPAC3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
SMILESCN(CCC[C@H]1CCCO1)C(=O)NCc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4O2/c1-24(10-2-4-17-5-3-11-26-17)19(25)21-12-15-13-22-23-18(15)14-6-8-16(20)9-7-14/h6-9,13,17H,2-5,10-12H2,1H3,(H,21,25)(H,22,23)/t17-/m0/s1
InChIKeyYGXYTFDEPDURMQ-KRWDZBQOSA-N
MW376.89 g/mol
LogP3.83
Rot. Bonds7

About 3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea

3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea (PubChem CID 126427974) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea.

Molecular Properties

Compound Name3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
PubChem CID126427974
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
SMILESCN(CCC[C@H]1CCCO1)C(=O)NCc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4O2/c1-24(10-2-4-17-5-3-11-26-17)19(25)21-12-15-13-22-23-18(15)14-6-8-16(20)9-7-14/h6-9,13,17H,2-5,10-12H2,1H3,(H,21,25)(H,22,23)/t17-/m0/s1
InChIKeyYGXYTFDEPDURMQ-KRWDZBQOSA-N
XLogP3.83
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea with MolForge

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Related Compounds

N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 40592688
5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 49490501
3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126453434
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(2S)-oxolan-2-yl]ethanamine
CID 95592451
3-(3-chloro-4-methylphenyl)-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118767228
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 99953823
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylazepane-2-carboxamide
CID 72919277
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 40578642
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea
CID 122558814
3-(1,3-benzodioxol-5-yl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125167071

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea?
The IUPAC name of 3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea (CID 126427974) is 3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea.
What is the SMILES notation for 3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea?
The canonical SMILES for 3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea is CN(CCC[C@H]1CCCO1)C(=O)NCc1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea?
The InChIKey is YGXYTFDEPDURMQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-24(10-2-4-17-5-3-11-26-17)19(25)21-12-15-13-22-23-18(15)14-6-8-16(20)9-7-14/h6-9,13,17H,2-5,10-12H2,1H3,(H,21,25)(H,22,23)/t17-/m0/s1.
What are the key properties of 3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea?
3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea has a molecular weight of 376.89 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea is sourced from PubChem (CID 126427974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).