3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea

C17H24N4O3 — CID 94031893

IUPAC3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea
SMILESCOCCn1cc(NC(=O)N(C)[C@@H](C)c2ccccc2OC)cn1
InChIInChI=1S/C17H24N4O3/c1-13(15-7-5-6-8-16(15)24-4)20(2)17(22)19-14-11-18-21(12-14)9-10-23-3/h5-8,11-13H,9-10H2,1-4H3,(H,19,22)/t13-/m0/s1
InChIKeyCVIIQTJUIDENLT-ZDUSSCGKSA-N
MW332.40 g/mol
LogP2.76
Rot. Bonds7

About 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea

3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea (PubChem CID 94031893) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea
PubChem CID94031893
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea
SMILESCOCCn1cc(NC(=O)N(C)[C@@H](C)c2ccccc2OC)cn1
InChIInChI=1S/C17H24N4O3/c1-13(15-7-5-6-8-16(15)24-4)20(2)17(22)19-14-11-18-21(12-14)9-10-23-3/h5-8,11-13H,9-10H2,1-4H3,(H,19,22)/t13-/m0/s1
InChIKeyCVIIQTJUIDENLT-ZDUSSCGKSA-N
XLogP2.76
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea
CID 94031894
3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea
CID 95974976
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
methyl N-[(2R)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 95148726
1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea
CID 51085685
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(1-methoxypropan-2-yl)thiourea
CID 113226468
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95130176
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 95130177
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
1-[2-(dimethylamino)-4-methylpentyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 56814238

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea?
The IUPAC name of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea (CID 94031893) is 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea?
The canonical SMILES for 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea is COCCn1cc(NC(=O)N(C)[C@@H](C)c2ccccc2OC)cn1.
What is the InChIKey of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea?
The InChIKey is CVIIQTJUIDENLT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13(15-7-5-6-8-16(15)24-4)20(2)17(22)19-14-11-18-21(12-14)9-10-23-3/h5-8,11-13H,9-10H2,1-4H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea?
3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea has a molecular weight of 332.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 94031893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).