1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea

C19H32N4O2 — CID 136562971

IUPAC1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea
SMILESCCCCn1ncc(NC(=O)NC2CCOC23CCCC3)c1C(C)C
InChIInChI=1S/C19H32N4O2/c1-4-5-11-23-17(14(2)3)15(13-20-23)21-18(24)22-16-8-12-25-19(16)9-6-7-10-19/h13-14,16H,4-12H2,1-3H3,(H2,21,22,24)
InChIKeyNELQRKVHZUDYIP-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.03
Rot. Bonds6

About 1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea

1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea (PubChem CID 136562971) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea.

Molecular Properties

Compound Name1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea
PubChem CID136562971
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea
SMILESCCCCn1ncc(NC(=O)NC2CCOC23CCCC3)c1C(C)C
InChIInChI=1S/C19H32N4O2/c1-4-5-11-23-17(14(2)3)15(13-20-23)21-18(24)22-16-8-12-25-19(16)9-6-7-10-19/h13-14,16H,4-12H2,1-3H3,(H2,21,22,24)
InChIKeyNELQRKVHZUDYIP-UHFFFAOYSA-N
XLogP4.03
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea with MolForge

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Related Compounds

4-[(1-butyl-5-propan-2-ylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 122091426
4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091517
1-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-3-[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]urea
CID 126821145
N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 66440340
1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)thiourea
CID 154803337
5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide
CID 136567790
1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea
CID 136568794
1-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-3-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 129358798
2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
CID 114440133
1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-[(2-methyloxan-2-yl)methyl]urea
CID 138025214
4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one
CID 114439301
N-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide
CID 136542623

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea?
The IUPAC name of 1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea (CID 136562971) is 1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea.
What is the SMILES notation for 1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea?
The canonical SMILES for 1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea is CCCCn1ncc(NC(=O)NC2CCOC23CCCC3)c1C(C)C.
What is the InChIKey of 1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea?
The InChIKey is NELQRKVHZUDYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-5-11-23-17(14(2)3)15(13-20-23)21-18(24)22-16-8-12-25-19(16)9-6-7-10-19/h13-14,16H,4-12H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea?
1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea has a molecular weight of 348.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea is sourced from PubChem (CID 136562971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).