N-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide

C15H26N4O2 — CID 136542623

IUPACN-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide
SMILESCCCCn1ncc(NC(=O)N2CC(C(C)(C)O)C2)c1C
InChIInChI=1S/C15H26N4O2/c1-5-6-7-19-11(2)13(8-16-19)17-14(20)18-9-12(10-18)15(3,4)21/h8,12,21H,5-7,9-10H2,1-4H3,(H,17,20)
InChIKeyUPNMZPRNQIYXCS-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.23
Rot. Bonds5

About N-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide

N-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide (PubChem CID 136542623) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide
PubChem CID136542623
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide
SMILESCCCCn1ncc(NC(=O)N2CC(C(C)(C)O)C2)c1C
InChIInChI=1S/C15H26N4O2/c1-5-6-7-19-11(2)13(8-16-19)17-14(20)18-9-12(10-18)15(3,4)21/h8,12,21H,5-7,9-10H2,1-4H3,(H,17,20)
InChIKeyUPNMZPRNQIYXCS-UHFFFAOYSA-N
XLogP2.23
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide
CID 75500158
(3aR,6aR)-5-[(1-butyl-5-methylpyrazol-4-yl)carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 139020361
2-butyl-4-chloro-5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazin-3-one
CID 106248206
4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one
CID 106149044
N-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine
CID 86786869
N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 133421624
(2R,6S)-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 128625396
1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine
CID 75442665
1-butyl-5-methylpyrazole-4-sulfonyl chloride
CID 19620104
N-(1-butyl-5-methylpyrazol-4-yl)-2-[6-(hydroxymethyl)-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyridine-4-carboxamide
CID 166329746
3-(dimethylamino)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]azetidine-1-carboxamide
CID 75505198
1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride
CID 126965034

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide?
The IUPAC name of N-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide (CID 136542623) is N-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide is CCCCn1ncc(NC(=O)N2CC(C(C)(C)O)C2)c1C.
What is the InChIKey of N-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide?
The InChIKey is UPNMZPRNQIYXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-6-7-19-11(2)13(8-16-19)17-14(20)18-9-12(10-18)15(3,4)21/h8,12,21H,5-7,9-10H2,1-4H3,(H,17,20).
What are the key properties of N-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide?
N-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5-methylpyrazol-4-yl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 136542623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).