1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea

C16H26N6O — CID 164636891

IUPAC1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
SMILESCC(C)[C@H](NC(=O)Nc1ccnn1C(C)(C)C)c1cnn(C)c1
InChIInChI=1S/C16H26N6O/c1-11(2)14(12-9-18-21(6)10-12)20-15(23)19-13-7-8-17-22(13)16(3,4)5/h7-11,14H,1-6H3,(H2,19,20,23)/t14-/m0/s1
InChIKeyBFEFTGRIYAMVOL-AWEZNQCLSA-N
MW318.43 g/mol
LogP2.89
Rot. Bonds4

About 1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea

1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea (PubChem CID 164636891) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is 1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
PubChem CID164636891
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
SMILESCC(C)[C@H](NC(=O)Nc1ccnn1C(C)(C)C)c1cnn(C)c1
InChIInChI=1S/C16H26N6O/c1-11(2)14(12-9-18-21(6)10-12)20-15(23)19-13-7-8-17-22(13)16(3,4)5/h7-11,14H,1-6H3,(H2,19,20,23)/t14-/m0/s1
InChIKeyBFEFTGRIYAMVOL-AWEZNQCLSA-N
XLogP2.89
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
CID 138027918
1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea
CID 136563591
1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
CID 138025781
1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
CID 138025708
1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 99830772
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CID 119053913
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-2-methyl-1-phenylpropyl]urea
CID 95771368
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 95771367
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106187975
1-(2-tert-butylpyrazol-3-yl)-3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)urea
CID 138025003
3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide
CID 138024589
2-(1-methylpyrazol-4-yl)-2-(3,4,4-trimethylpentanoylamino)acetic acid
CID 115288194

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea (CID 164636891) is 1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea is CC(C)[C@H](NC(=O)Nc1ccnn1C(C)(C)C)c1cnn(C)c1.
What is the InChIKey of 1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea?
The InChIKey is BFEFTGRIYAMVOL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N6O/c1-11(2)14(12-9-18-21(6)10-12)20-15(23)19-13-7-8-17-22(13)16(3,4)5/h7-11,14H,1-6H3,(H2,19,20,23)/t14-/m0/s1.
What are the key properties of 1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea?
1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea has a molecular weight of 318.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 164636891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).