3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea

C14H24N4O2 — CID 95974976

IUPAC3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea
SMILESCOCCn1cc(NC(=O)N(C)[C@H](C)C2(C)CC2)cn1
InChIInChI=1S/C14H24N4O2/c1-11(14(2)5-6-14)17(3)13(19)16-12-9-15-18(10-12)7-8-20-4/h9-11H,5-8H2,1-4H3,(H,16,19)/t11-/m1/s1
InChIKeyALEMZVKQXWIQSA-LLVKDONJSA-N
MW280.37 g/mol
LogP2.18
Rot. Bonds6

About 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea

3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea (PubChem CID 95974976) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea
PubChem CID95974976
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea
SMILESCOCCn1cc(NC(=O)N(C)[C@H](C)C2(C)CC2)cn1
InChIInChI=1S/C14H24N4O2/c1-11(14(2)5-6-14)17(3)13(19)16-12-9-15-18(10-12)7-8-20-4/h9-11H,5-8H2,1-4H3,(H,16,19)/t11-/m1/s1
InChIKeyALEMZVKQXWIQSA-LLVKDONJSA-N
XLogP2.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea
CID 94031893
1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea
CID 51085685
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylcyclopentane-1-carboxamide
CID 82765458
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
CID 80597322
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
4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
CID 119728728
1-[(4-bromothiophen-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea
CID 55836626
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
5-hydrazinyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 107377908

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea?
The IUPAC name of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea (CID 95974976) is 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea.
What is the SMILES notation for 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea?
The canonical SMILES for 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea is COCCn1cc(NC(=O)N(C)[C@H](C)C2(C)CC2)cn1.
What is the InChIKey of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea?
The InChIKey is ALEMZVKQXWIQSA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(14(2)5-6-14)17(3)13(19)16-12-9-15-18(10-12)7-8-20-4/h9-11H,5-8H2,1-4H3,(H,16,19)/t11-/m1/s1.
What are the key properties of 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea?
3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea has a molecular weight of 280.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea is sourced from PubChem (CID 95974976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).