1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea

C19H27N5O2 — CID 75474473

IUPAC1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
SMILESCCNC(=O)Nc1cn[nH]c1C1CCCN(Cc2cccc(OC)c2)C1
InChIInChI=1S/C19H27N5O2/c1-3-20-19(25)22-17-11-21-23-18(17)15-7-5-9-24(13-15)12-14-6-4-8-16(10-14)26-2/h4,6,8,10-11,15H,3,5,7,9,12-13H2,1-2H3,(H,21,23)(H2,20,22,25)
InChIKeyRBUUCKZIVRAMNV-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.94
Rot. Bonds6

About 1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea

1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea (PubChem CID 75474473) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
PubChem CID75474473
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
SMILESCCNC(=O)Nc1cn[nH]c1C1CCCN(Cc2cccc(OC)c2)C1
InChIInChI=1S/C19H27N5O2/c1-3-20-19(25)22-17-11-21-23-18(17)15-7-5-9-24(13-15)12-14-6-4-8-16(10-14)26-2/h4,6,8,10-11,15H,3,5,7,9,12-13H2,1-2H3,(H,21,23)(H2,20,22,25)
InChIKeyRBUUCKZIVRAMNV-UHFFFAOYSA-N
XLogP2.94
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474474
2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 75474520
(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methoxyphenyl)methyl]piperidine
CID 42479446
1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 97344399
4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344525
azepan-1-yl-[5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 110083019
4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344523
3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 42511683
1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474634
1-[5-[(3R)-1-butylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea
CID 97344690
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide
CID 97344503

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea?
The IUPAC name of 1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea (CID 75474473) is 1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea is CCNC(=O)Nc1cn[nH]c1C1CCCN(Cc2cccc(OC)c2)C1.
What is the InChIKey of 1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea?
The InChIKey is RBUUCKZIVRAMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-20-19(25)22-17-11-21-23-18(17)15-7-5-9-24(13-15)12-14-6-4-8-16(10-14)26-2/h4,6,8,10-11,15H,3,5,7,9,12-13H2,1-2H3,(H,21,23)(H2,20,22,25).
What are the key properties of 1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea?
1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea has a molecular weight of 357.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea is sourced from PubChem (CID 75474473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).