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

C13H24N4O — CID 110747748

IUPAC1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea
SMILESCc1n[nH]c(C)c1CCNC(=O)NCC(C)(C)C
InChIInChI=1S/C13H24N4O/c1-9-11(10(2)17-16-9)6-7-14-12(18)15-8-13(3,4)5/h6-8H2,1-5H3,(H,16,17)(H2,14,15,18)
InChIKeyWPSSKXWYEWSUTO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.91
Rot. Bonds4

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

1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea (PubChem CID 110747748) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea
PubChem CID110747748
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea
SMILESCc1n[nH]c(C)c1CCNC(=O)NCC(C)(C)C
InChIInChI=1S/C13H24N4O/c1-9-11(10(2)17-16-9)6-7-14-12(18)15-8-13(3,4)5/h6-8H2,1-5H3,(H,16,17)(H2,14,15,18)
InChIKeyWPSSKXWYEWSUTO-UHFFFAOYSA-N
XLogP1.91
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide
CID 90649604
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-[(1-hydroxycyclohexyl)methyl]urea
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(2S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 171149651
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N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
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2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717101
1-(2,2-dimethylpropyl)-3-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]urea
CID 110747852
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110717138
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea (CID 110747748) is 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea is Cc1n[nH]c(C)c1CCNC(=O)NCC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea?
The InChIKey is WPSSKXWYEWSUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9-11(10(2)17-16-9)6-7-14-12(18)15-8-13(3,4)5/h6-8H2,1-5H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea?
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea has a molecular weight of 252.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 110747748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).