1-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea

C17H27N5O3 — CID 91920603

IUPAC1-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C1CCOCC1)C1CN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C17H27N5O3/c1-12(2)19-17(24)22(13-5-8-25-9-6-13)14-10-21(11-14)16(23)15-4-7-18-20(15)3/h4,7,12-14H,5-6,8-11H2,1-3H3,(H,19,24)
InChIKeyOSABDYVDBQTFDG-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.84
Rot. Bonds4

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

1-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea (PubChem CID 91920603) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea
PubChem CID91920603
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name1-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C1CCOCC1)C1CN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C17H27N5O3/c1-12(2)19-17(24)22(13-5-8-25-9-6-13)14-10-21(11-14)16(23)15-4-7-18-20(15)3/h4,7,12-14H,5-6,8-11H2,1-3H3,(H,19,24)
InChIKeyOSABDYVDBQTFDG-UHFFFAOYSA-N
XLogP0.84
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-({[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)-1-piperazinecarboxylate
CID 778916
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
N-(6-methoxyhexyl)-2-methylpyrazole-3-carboxamide
CID 137640519
[4-[Methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91916169
3-(Morpholinocarbonyl)-N~1~-propyl-1H-pyrazole-1-carboxamide
CID 5348238
3,3-dimethyl-4-(1-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 25843701
4-(1-ethyl-1H-pyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
CID 42138640
(4S)-N-ethyl-4-{[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-1-(tetrahydro-2H-pyran-4-yl)-L-prolinamide
CID 72851976
N-[1-(1-Methyl-1H-pyrazole-5-carbonyl)azetidin-3-YL]-N-(oxan-4-YL)methanesulfonamide
CID 91909828
N-[1-(1-Ethyl-1H-pyrazole-3-carbonyl)azetidin-3-YL]-N-(oxan-4-YL)methanesulfonamide
CID 91909829
N-cyclopropyl-N'-ethyl-N-{9-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}urea
CID 91919850
1-[1-(1,5-Dimethylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea
CID 91920604

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea?
The IUPAC name of 1-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea (CID 91920603) is 1-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea is CC(C)NC(=O)N(C1CCOCC1)C1CN(C(=O)c2ccnn2C)C1.
What is the InChIKey of 1-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea?
The InChIKey is OSABDYVDBQTFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-12(2)19-17(24)22(13-5-8-25-9-6-13)14-10-21(11-14)16(23)15-4-7-18-20(15)3/h4,7,12-14H,5-6,8-11H2,1-3H3,(H,19,24).
What are the key properties of 1-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea?
1-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea has a molecular weight of 349.44 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea is sourced from PubChem (CID 91920603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).