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

C16H19N7O — CID 94166977

IUPAC1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
SMILESCc1c([C@H](C)NC(=O)Nc2ccc(-n3cccn3)nc2)cnn1C
InChIInChI=1S/C16H19N7O/c1-11(14-10-19-22(3)12(14)2)20-16(24)21-13-5-6-15(17-9-13)23-8-4-7-18-23/h4-11H,1-3H3,(H2,20,21,24)/t11-/m0/s1
InChIKeyVZMZZAJXIOCLFK-NSHDSACASA-N
MW325.38 g/mol
LogP2.19
Rot. Bonds4

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

1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea (PubChem CID 94166977) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
PubChem CID94166977
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
SMILESCc1c([C@H](C)NC(=O)Nc2ccc(-n3cccn3)nc2)cnn1C
InChIInChI=1S/C16H19N7O/c1-11(14-10-19-22(3)12(14)2)20-16(24)21-13-5-6-15(17-9-13)23-8-4-7-18-23/h4-11H,1-3H3,(H2,20,21,24)/t11-/m0/s1
InChIKeyVZMZZAJXIOCLFK-NSHDSACASA-N
XLogP2.19
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95198776
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-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 7470090
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
2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 46548668
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-pyrazol-1-ylpyridin-3-amine
CID 65191918
(2R)-2-methoxy-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 95279874
1-(6-pyrazol-1-yl-3-pyridinyl)-3-(pyridin-2-ylmethyl)urea
CID 47040705

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea (CID 94166977) is 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea is Cc1c([C@H](C)NC(=O)Nc2ccc(-n3cccn3)nc2)cnn1C.
What is the InChIKey of 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
The InChIKey is VZMZZAJXIOCLFK-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N7O/c1-11(14-10-19-22(3)12(14)2)20-16(24)21-13-5-6-15(17-9-13)23-8-4-7-18-23/h4-11H,1-3H3,(H2,20,21,24)/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea has a molecular weight of 325.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 94166977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).