1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea

C17H24N6O — CID 97001695

IUPAC1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1ccc(C2CC2)nn1
InChIInChI=1S/C17H24N6O/c1-10(9-14-11(2)22-23(4)12(14)3)18-17(24)19-16-8-7-15(20-21-16)13-5-6-13/h7-8,10,13H,5-6,9H2,1-4H3,(H2,18,19,21,24)/t10-/m0/s1
InChIKeyMMVJAOODQDEXKT-JTQLQIEISA-N
MW328.42 g/mol
LogP2.46
Rot. Bonds5

About 1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea

1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (PubChem CID 97001695) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
PubChem CID97001695
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1ccc(C2CC2)nn1
InChIInChI=1S/C17H24N6O/c1-10(9-14-11(2)22-23(4)12(14)3)18-17(24)19-16-8-7-15(20-21-16)13-5-6-13/h7-8,10,13H,5-6,9H2,1-4H3,(H2,18,19,21,24)/t10-/m0/s1
InChIKeyMMVJAOODQDEXKT-JTQLQIEISA-N
XLogP2.46
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea with MolForge

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Related Compounds

2-cyclopropyl-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92626066
1-[3-(difluoromethyl)phenyl]-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97318672
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 71989902
4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide
CID 119138224
1-[2-(2-methylphenyl)cyclopropyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 84585038
2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide
CID 92613792
1-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 99856964
2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122146158
1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 129397300
1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97048821
1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 111482812
N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026295

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The IUPAC name of 1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (CID 97001695) is 1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The canonical SMILES for 1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea is Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1ccc(C2CC2)nn1.
What is the InChIKey of 1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The InChIKey is MMVJAOODQDEXKT-JTQLQIEISA-N. The full InChI is InChI=1S/C17H24N6O/c1-10(9-14-11(2)22-23(4)12(14)3)18-17(24)19-16-8-7-15(20-21-16)13-5-6-13/h7-8,10,13H,5-6,9H2,1-4H3,(H2,18,19,21,24)/t10-/m0/s1.
What are the key properties of 1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea is sourced from PubChem (CID 97001695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).