1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea

C13H18N6O — CID 97327595

IUPAC1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
SMILESCc1cc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)nn1C
InChIInChI=1S/C13H18N6O/c1-8-5-12(18-19(8)2)16-13(20)15-10-3-4-11-9(6-10)7-14-17-11/h5,7,10H,3-4,6H2,1-2H3,(H,14,17)(H2,15,16,18,20)/t10-/m0/s1
InChIKeyQUEJEIMKFVGAQK-JTQLQIEISA-N
MW274.33 g/mol
LogP1.13
Rot. Bonds2

About 1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea

1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea (PubChem CID 97327595) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
PubChem CID97327595
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
SMILESCc1cc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)nn1C
InChIInChI=1S/C13H18N6O/c1-8-5-12(18-19(8)2)16-13(20)15-10-3-4-11-9(6-10)7-14-17-11/h5,7,10H,3-4,6H2,1-2H3,(H,14,17)(H2,15,16,18,20)/t10-/m0/s1
InChIKeyQUEJEIMKFVGAQK-JTQLQIEISA-N
XLogP1.13
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea with MolForge

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Related Compounds

1-(5-phenyl-1,2-oxazol-3-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327533
1,5-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrazole-3-carboxamide
CID 127463103
1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327583
1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327551
1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 86804058
1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 75515741
1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124738907
N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide
CID 124578647
1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 71909222
3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide
CID 97147352
1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 126793528
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 126769620

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea (CID 97327595) is 1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea is Cc1cc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The InChIKey is QUEJEIMKFVGAQK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N6O/c1-8-5-12(18-19(8)2)16-13(20)15-10-3-4-11-9(6-10)7-14-17-11/h5,7,10H,3-4,6H2,1-2H3,(H,14,17)(H2,15,16,18,20)/t10-/m0/s1.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea has a molecular weight of 274.33 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea is sourced from PubChem (CID 97327595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).