1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea

C14H27N5O3S — CID 56795482

IUPAC1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea
SMILESCCN(CCCNC(=O)Nc1ccn(C(C)(C)C)n1)S(C)(=O)=O
InChIInChI=1S/C14H27N5O3S/c1-6-18(23(5,21)22)10-7-9-15-13(20)16-12-8-11-19(17-12)14(2,3)4/h8,11H,6-7,9-10H2,1-5H3,(H2,15,16,17,20)
InChIKeyYFTVIYBJPSLTCE-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.43
Rot. Bonds7

About 1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea

1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea (PubChem CID 56795482) has the molecular formula C14H27N5O3S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea.

Molecular Properties

Compound Name1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea
PubChem CID56795482
Molecular FormulaC14H27N5O3S
Molecular Weight345.47 g/mol
Exact Mass345.18
IUPAC Name1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea
SMILESCCN(CCCNC(=O)Nc1ccn(C(C)(C)C)n1)S(C)(=O)=O
InChIInChI=1S/C14H27N5O3S/c1-6-18(23(5,21)22)10-7-9-15-13(20)16-12-8-11-19(17-12)14(2,3)4/h8,11H,6-7,9-10H2,1-5H3,(H2,15,16,17,20)
InChIKeyYFTVIYBJPSLTCE-UHFFFAOYSA-N
XLogP1.43
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Butyl-3-(1-methylpyrazol-3-yl)urea
CID 2807715
1-[1-(3-Methoxypropyl)pyrazol-3-yl]-3-propylurea
CID 72008027
3-(Propan-2-YL)-1-(1-propyl-1H-pyrazol-3-YL)urea
CID 53017230
3-Tert-butyl-1-(1-propyl-1H-pyrazol-3-YL)urea
CID 53017239
1-(1-Ethyl-1H-pyrazol-3-YL)-3-(2-methylpropyl)urea
CID 53017248
1-[1-[2-(Dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea
CID 56795480
1-Tert-butyl-3-[1-(3-methoxypropyl)pyrazol-3-yl]urea
CID 72101341
2-({[(1-cyclohexyl-1H-pyrazol-5-yl)amino]carbonyl}amino)-N,N-dimethylethanesulfonamide
CID 72845724
1-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-propylpyrazol-3-yl)urea
CID 95975295
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-propan-2-ylpyrazol-3-yl)urea
CID 164633786
3-Formamido-N-isopropyl-N-methyl-1-pyrazole carboxamide
CID 10330743
2-methyl-1-methylsulfonyl-3-[3-[3-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrazol-1-yl]propyl]guanidine
CID 21298761

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea?
The IUPAC name of 1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea (CID 56795482) is 1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea.
What is the SMILES notation for 1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea?
The canonical SMILES for 1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea is CCN(CCCNC(=O)Nc1ccn(C(C)(C)C)n1)S(C)(=O)=O.
What is the InChIKey of 1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea?
The InChIKey is YFTVIYBJPSLTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O3S/c1-6-18(23(5,21)22)10-7-9-15-13(20)16-12-8-11-19(17-12)14(2,3)4/h8,11H,6-7,9-10H2,1-5H3,(H2,15,16,17,20).
What are the key properties of 1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea?
1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea has a molecular weight of 345.47 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpyrazol-3-yl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea is sourced from PubChem (CID 56795482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).