1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C17H21N7O — CID 95198776

IUPAC1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1[C@@H](C)NC(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H21N7O/c1-11(16-12(2)22-23(4)13(16)3)20-17(25)21-14-6-7-15(18-10-14)24-9-5-8-19-24/h5-11H,1-4H3,(H2,20,21,25)/t11-/m1/s1
InChIKeyUKZJEPYYCCDSON-LLVKDONJSA-N
MW339.40 g/mol
LogP2.50
Rot. Bonds4

About 1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 95198776) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID95198776
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1[C@@H](C)NC(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H21N7O/c1-11(16-12(2)22-23(4)13(16)3)20-17(25)21-14-6-7-15(18-10-14)24-9-5-8-19-24/h5-11H,1-4H3,(H2,20,21,25)/t11-/m1/s1
InChIKeyUKZJEPYYCCDSON-LLVKDONJSA-N
XLogP2.50
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea with MolForge

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Related Compounds

1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94166977
1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94167183
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 60595650
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 38951277
2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119842771
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-pyrazol-1-ylpyridin-3-amine
CID 65191918
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95597498
2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 46548668
N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide
CID 71883835
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 95198776) is 1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of 1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is UKZJEPYYCCDSON-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11(16-12(2)22-23(4)13(16)3)20-17(25)21-14-6-7-15(18-10-14)24-9-5-8-19-24/h5-11H,1-4H3,(H2,20,21,25)/t11-/m1/s1.
What are the key properties of 1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 339.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 95198776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).