1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea

C15H26N4O2 — CID 51085685

IUPAC1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea
SMILESCOCCn1cc(NC(=O)N(C)C2CCCCCC2)cn1
InChIInChI=1S/C15H26N4O2/c1-18(14-7-5-3-4-6-8-14)15(20)17-13-11-16-19(12-13)9-10-21-2/h11-12,14H,3-10H2,1-2H3,(H,17,20)
InChIKeyLXCXCQIWKSKALU-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.72
Rot. Bonds5

About 1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea

1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea (PubChem CID 51085685) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea.

Molecular Properties

Compound Name1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea
PubChem CID51085685
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea
SMILESCOCCn1cc(NC(=O)N(C)C2CCCCCC2)cn1
InChIInChI=1S/C15H26N4O2/c1-18(14-7-5-3-4-6-8-14)15(20)17-13-11-16-19(12-13)9-10-21-2/h11-12,14H,3-10H2,1-2H3,(H,17,20)
InChIKeyLXCXCQIWKSKALU-UHFFFAOYSA-N
XLogP2.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-methylurea
CID 126780377
2-(cyclopentylamino)-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
CID 54928520
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 64824534
3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea
CID 95974976
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61179722
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylcyclopentane-1-carboxamide
CID 82765458
(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81118704
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 51105702
3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea
CID 94031894
1-[(4-bromothiophen-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea
CID 55836626
3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea
CID 94031893
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea?
The IUPAC name of 1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea (CID 51085685) is 1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea.
What is the SMILES notation for 1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea?
The canonical SMILES for 1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea is COCCn1cc(NC(=O)N(C)C2CCCCCC2)cn1.
What is the InChIKey of 1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea?
The InChIKey is LXCXCQIWKSKALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-18(14-7-5-3-4-6-8-14)15(20)17-13-11-16-19(12-13)9-10-21-2/h11-12,14H,3-10H2,1-2H3,(H,17,20).
What are the key properties of 1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea?
1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea has a molecular weight of 294.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea is sourced from PubChem (CID 51085685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).