1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea

C19H27N5O2 — CID 136537851

IUPAC1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea
SMILESCOCCn1ccc(NC(=O)NCC2CCCN(c3ccccc3)C2)n1
InChIInChI=1S/C19H27N5O2/c1-26-13-12-24-11-9-18(22-24)21-19(25)20-14-16-6-5-10-23(15-16)17-7-3-2-4-8-17/h2-4,7-9,11,16H,5-6,10,12-15H2,1H3,(H2,20,21,22,25)
InChIKeyQZISUDZVVNMOIM-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.57
Rot. Bonds7

About 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea

1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea (PubChem CID 136537851) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea
PubChem CID136537851
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea
SMILESCOCCn1ccc(NC(=O)NCC2CCCN(c3ccccc3)C2)n1
InChIInChI=1S/C19H27N5O2/c1-26-13-12-24-11-9-18(22-24)21-19(25)20-14-16-6-5-10-23(15-16)17-7-3-2-4-8-17/h2-4,7-9,11,16H,5-6,10,12-15H2,1H3,(H2,20,21,22,25)
InChIKeyQZISUDZVVNMOIM-UHFFFAOYSA-N
XLogP2.57
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide
CID 136524433
4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
CID 55621665
N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 118519251
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea
CID 72913939
[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124622210
1-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 30936534
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95326935
2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
N-[1-(2-methoxyethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314318
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide
CID 119767695
2-(1-hydroxycyclopentyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 111432629

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea (CID 136537851) is 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea is COCCn1ccc(NC(=O)NCC2CCCN(c3ccccc3)C2)n1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea?
The InChIKey is QZISUDZVVNMOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-26-13-12-24-11-9-18(22-24)21-19(25)20-14-16-6-5-10-23(15-16)17-7-3-2-4-8-17/h2-4,7-9,11,16H,5-6,10,12-15H2,1H3,(H2,20,21,22,25).
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea?
1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea has a molecular weight of 357.46 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-[(1-phenylpiperidin-3-yl)methyl]urea is sourced from PubChem (CID 136537851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).