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

C14H23N7O — CID 119072066

IUPAC1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea
SMILESCc1nc(C(C)NC(=O)N(C)CCc2c(C)n[nH]c2C)n[nH]1
InChIInChI=1S/C14H23N7O/c1-8-12(9(2)18-17-8)6-7-21(5)14(22)15-10(3)13-16-11(4)19-20-13/h10H,6-7H2,1-5H3,(H,15,22)(H,17,18)(H,16,19,20)
InChIKeySPZOSLQHUKKRAC-UHFFFAOYSA-N
MW305.39 g/mol
LogP1.40
Rot. Bonds5

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

1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 119072066) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID119072066
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea
SMILESCc1nc(C(C)NC(=O)N(C)CCc2c(C)n[nH]c2C)n[nH]1
InChIInChI=1S/C14H23N7O/c1-8-12(9(2)18-17-8)6-7-21(5)14(22)15-10(3)13-16-11(4)19-20-13/h10H,6-7H2,1-5H3,(H,15,22)(H,17,18)(H,16,19,20)
InChIKeySPZOSLQHUKKRAC-UHFFFAOYSA-N
XLogP1.40
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea (CID 119072066) is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea is Cc1nc(C(C)NC(=O)N(C)CCc2c(C)n[nH]c2C)n[nH]1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is SPZOSLQHUKKRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-8-12(9(2)18-17-8)6-7-21(5)14(22)15-10(3)13-16-11(4)19-20-13/h10H,6-7H2,1-5H3,(H,15,22)(H,17,18)(H,16,19,20).
What are the key properties of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea?
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 305.39 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 119072066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).