1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea

C18H29N5O3 — CID 91920604

IUPAC1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea
SMILESCc1cc(C(=O)N2CC(N(C(=O)NC(C)C)C3CCOCC3)C2)nn1C
InChIInChI=1S/C18H29N5O3/c1-12(2)19-18(25)23(14-5-7-26-8-6-14)15-10-22(11-15)17(24)16-9-13(3)21(4)20-16/h9,12,14-15H,5-8,10-11H2,1-4H3,(H,19,25)
InChIKeyAFWHHGPXJORSPY-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.15
Rot. Bonds4

About 1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea

1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea (PubChem CID 91920604) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea
PubChem CID91920604
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea
SMILESCc1cc(C(=O)N2CC(N(C(=O)NC(C)C)C3CCOCC3)C2)nn1C
InChIInChI=1S/C18H29N5O3/c1-12(2)19-18(25)23(14-5-7-26-8-6-14)15-10-22(11-15)17(24)16-9-13(3)21(4)20-16/h9,12,14-15H,5-8,10-11H2,1-4H3,(H,19,25)
InChIKeyAFWHHGPXJORSPY-UHFFFAOYSA-N
XLogP1.15
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea with MolForge

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Related Compounds

1-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 53501404
4-(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 25854652
N-butyl-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-2-methylazetidine-2-carboxamide
CID 49792568
N~2~-[2-(dimethylamino)ethyl]-N~5~-[(1R)-1,2-dimethylpropyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxamide
CID 50983087
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide
CID 51083917
1-tert-butyl-5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide
CID 53501395
1-[1-(1-Tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 53514020
1-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-5-methylpyrazole-3-carboxamide
CID 56797009
1-[1-(1-Tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one
CID 56821766
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(oxan-4-yl)acetamide
CID 72140145
4-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-2-ethyl-1-isopropylpiperazine
CID 72911903
4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
CID 16863920

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea?
The IUPAC name of 1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea (CID 91920604) is 1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea is Cc1cc(C(=O)N2CC(N(C(=O)NC(C)C)C3CCOCC3)C2)nn1C.
What is the InChIKey of 1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea?
The InChIKey is AFWHHGPXJORSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-12(2)19-18(25)23(14-5-7-26-8-6-14)15-10-22(11-15)17(24)16-9-13(3)21(4)20-16/h9,12,14-15H,5-8,10-11H2,1-4H3,(H,19,25).
What are the key properties of 1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea?
1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea has a molecular weight of 363.46 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea is sourced from PubChem (CID 91920604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).