1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea

C13H20N6O — CID 24658462

IUPAC1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C13H20N6O/c1-7-11(9(3)18(5)16-7)14-13(20)15-12-8(2)17-19(6)10(12)4/h1-6H3,(H2,14,15,20)
InChIKeyZHRIEQDCKIDBPD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.03
Rot. Bonds2

About 1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea

1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea (PubChem CID 24658462) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea
PubChem CID24658462
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C13H20N6O/c1-7-11(9(3)18(5)16-7)14-13(20)15-12-8(2)17-19(6)10(12)4/h1-6H3,(H2,14,15,20)
InChIKeyZHRIEQDCKIDBPD-UHFFFAOYSA-N
XLogP2.03
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Bis(1,3,5-trimethylpyrazol-4-yl)diazene
CID 2805548
4,4-difluoro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 72849115
N-(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)-N'-(2,2,2-trifluoroethyl)urea
CID 118760853
4-oxo-3-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)imidazolidine-1-carboxamide
CID 128060437
1-[[1-(2,2-Difluoroethyl)pyrrolidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 137933441
1-(2-Cyanoethyl)-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-propan-2-ylurea
CID 71861628
3-(diethylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 72118757
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-(2-methylpropyl)-1,4-diazepane-1-carboxamide
CID 72150167
N-{3-[cyclopentyl(methyl)amino]propyl}-N'-(1,3,5-trimethyl-1H-pyrazol-4-yl)urea
CID 118761326
1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine hydrochloride
CID 16640637
4-(2-Aminoethylamino)-3,5-dimethylpyrazole-1-carboxamide
CID 20403518
5-(1,1-Dimethylimidazolidin-1-ium-2-yl)-1,3-dimethylpyrazol-4-amine
CID 53813473

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea?
The IUPAC name of 1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea (CID 24658462) is 1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea?
The canonical SMILES for 1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea is Cc1nn(C)c(C)c1NC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea?
The InChIKey is ZHRIEQDCKIDBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-7-11(9(3)18(5)16-7)14-13(20)15-12-8(2)17-19(6)10(12)4/h1-6H3,(H2,14,15,20).
What are the key properties of 1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea?
1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea has a molecular weight of 276.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1,3,5-trimethylpyrazol-4-yl)urea is sourced from PubChem (CID 24658462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).