1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea

C14H20N6O — CID 125136371

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
SMILESCCc1nn(C)cc1NC(=O)N[C@@H]1CCCc2cn[nH]c21
InChIInChI=1S/C14H20N6O/c1-3-10-12(8-20(2)19-10)17-14(21)16-11-6-4-5-9-7-15-18-13(9)11/h7-8,11H,3-6H2,1-2H3,(H,15,18)(H2,16,17,21)/t11-/m1/s1
InChIKeyOSNGTRFFIHQGCK-LLVKDONJSA-N
MW288.36 g/mol
LogP1.90
Rot. Bonds3

About 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea

1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea (PubChem CID 125136371) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
PubChem CID125136371
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
SMILESCCc1nn(C)cc1NC(=O)N[C@@H]1CCCc2cn[nH]c21
InChIInChI=1S/C14H20N6O/c1-3-10-12(8-20(2)19-10)17-14(21)16-11-6-4-5-9-7-15-18-13(9)11/h7-8,11H,3-6H2,1-2H3,(H,15,18)(H2,16,17,21)/t11-/m1/s1
InChIKeyOSNGTRFFIHQGCK-LLVKDONJSA-N
XLogP1.90
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 155950298
1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 97228997
cis-(1R,3S)-3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320313
1-(3-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 75482362
2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride
CID 119787817
1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 128727902
2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 154738802
2-(cyclopropylmethylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 119787806
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 107464205
4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide
CID 119787790
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpiperidine-2-carboxamide
CID 107463362
1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 127727149

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea (CID 125136371) is 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea is CCc1nn(C)cc1NC(=O)N[C@@H]1CCCc2cn[nH]c21.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea?
The InChIKey is OSNGTRFFIHQGCK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-10-12(8-20(2)19-10)17-14(21)16-11-6-4-5-9-7-15-18-13(9)11/h7-8,11H,3-6H2,1-2H3,(H,15,18)(H2,16,17,21)/t11-/m1/s1.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea?
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea has a molecular weight of 288.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea is sourced from PubChem (CID 125136371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).