N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C17H25N5O3 — CID 167807743

IUPACN-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCn1nc(C2CCOCC2)cc1NC(=O)C1=NOC2(CCCNC2)C1
InChIInChI=1S/C17H25N5O3/c1-22-15(9-13(20-22)12-3-7-24-8-4-12)19-16(23)14-10-17(25-21-14)5-2-6-18-11-17/h9,12,18H,2-8,10-11H2,1H3,(H,19,23)
InChIKeyKIFAGCQOXDRQRQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.15
Rot. Bonds3

About N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 167807743) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID167807743
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCn1nc(C2CCOCC2)cc1NC(=O)C1=NOC2(CCCNC2)C1
InChIInChI=1S/C17H25N5O3/c1-22-15(9-13(20-22)12-3-7-24-8-4-12)19-16(23)14-10-17(25-21-14)5-2-6-18-11-17/h9,12,18H,2-8,10-11H2,1H3,(H,19,23)
InChIKeyKIFAGCQOXDRQRQ-UHFFFAOYSA-N
XLogP1.15
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide
CID 138057271
N-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134078676
1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 90755002
N-cyclopropyl-N-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 138039499
1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride
CID 138039492
N-(3-cyclohexyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 119337707
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-fluorobenzamide
CID 134798522
(5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97408003
(3-cyclopropyl-1-methylpyrazol-5-yl)carbamic acid
CID 69157729
1-methyl-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 83702839
N-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide
CID 167933065
(5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97490819

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 167807743) is N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is Cn1nc(C2CCOCC2)cc1NC(=O)C1=NOC2(CCCNC2)C1.
What is the InChIKey of N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is KIFAGCQOXDRQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-22-15(9-13(20-22)12-3-7-24-8-4-12)19-16(23)14-10-17(25-21-14)5-2-6-18-11-17/h9,12,18H,2-8,10-11H2,1H3,(H,19,23).
What are the key properties of N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 167807743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).