1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea

C15H22N6O2 — CID 128968592

IUPAC1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCc1cc(NC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)nn1C
InChIInChI=1S/C15H22N6O2/c1-9-7-13(19-20(9)3)18-15(22)17-12-5-6-23-14(12)11-8-16-21(4)10(11)2/h7-8,12,14H,5-6H2,1-4H3,(H2,17,18,19,22)/t12-,14+/m0/s1
InChIKeyKQCHSYIVKDSPJB-GXTWGEPZSA-N
MW318.38 g/mol
LogP1.42
Rot. Bonds3

About 1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea

1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea (PubChem CID 128968592) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea
PubChem CID128968592
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCc1cc(NC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)nn1C
InChIInChI=1S/C15H22N6O2/c1-9-7-13(19-20(9)3)18-15(22)17-12-5-6-23-14(12)11-8-16-21(4)10(11)2/h7-8,12,14H,5-6H2,1-4H3,(H2,17,18,19,22)/t12-,14+/m0/s1
InChIKeyKQCHSYIVKDSPJB-GXTWGEPZSA-N
XLogP1.42
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 127962121
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide
CID 129003452
(2S)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide
CID 129327175
(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)oxolane-3-carboxamide
CID 128973434
2-(cyclopropylamino)-N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 127955518
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 127954487
N-(1,5-dimethylpyrazol-3-yl)cyclopentanecarboxamide
CID 35761222
1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea
CID 108813280
N-(1,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 56725172
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
CID 128969421
methyl (1S,2R,3R,4S)-3-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124858381
(2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129003975

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea (CID 128968592) is 1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea is Cc1cc(NC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea?
The InChIKey is KQCHSYIVKDSPJB-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-9-7-13(19-20(9)3)18-15(22)17-12-5-6-23-14(12)11-8-16-21(4)10(11)2/h7-8,12,14H,5-6H2,1-4H3,(H2,17,18,19,22)/t12-,14+/m0/s1.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea?
1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea has a molecular weight of 318.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-3-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]urea is sourced from PubChem (CID 128968592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).