1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea

C14H24N4O2 — CID 71915125

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
SMILESCOCCC1(CNC(=O)NCc2c(C)n[nH]c2C)CC1
InChIInChI=1S/C14H24N4O2/c1-10-12(11(2)18-17-10)8-15-13(19)16-9-14(4-5-14)6-7-20-3/h4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyJYJJQRAAKROBML-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.64
Rot. Bonds7

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea

1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea (PubChem CID 71915125) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
PubChem CID71915125
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
SMILESCOCCC1(CNC(=O)NCc2c(C)n[nH]c2C)CC1
InChIInChI=1S/C14H24N4O2/c1-10-12(11(2)18-17-10)8-15-13(19)16-9-14(4-5-14)6-7-20-3/h4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyJYJJQRAAKROBML-UHFFFAOYSA-N
XLogP1.64
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea (CID 71915125) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea is COCCC1(CNC(=O)NCc2c(C)n[nH]c2C)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
The InChIKey is JYJJQRAAKROBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-12(11(2)18-17-10)8-15-13(19)16-9-14(4-5-14)6-7-20-3/h4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea has a molecular weight of 280.37 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 71915125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).