N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide

C11H18N4O2 — CID 104592718

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2nn(C)cc2CN)O1
InChIInChI=1S/C11H18N4O2/c1-7-3-4-9(17-7)11(16)13-10-8(5-12)6-15(2)14-10/h6-7,9H,3-5,12H2,1-2H3,(H,13,14,16)
InChIKeyYFOIZYFHIYWINE-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.38
Rot. Bonds3

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide (PubChem CID 104592718) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide
PubChem CID104592718
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2nn(C)cc2CN)O1
InChIInChI=1S/C11H18N4O2/c1-7-3-4-9(17-7)11(16)13-10-8(5-12)6-15(2)14-10/h6-7,9H,3-5,12H2,1-2H3,(H,13,14,16)
InChIKeyYFOIZYFHIYWINE-UHFFFAOYSA-N
XLogP0.38
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-1-methylpyrazol-3-yl)-2-methoxy-3-methylpentanamide
CID 132382887
(2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
CID 120795924
N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
CID 126834940
(2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
CID 126837045
(2R)-N-(1-butyl-4-methyl-1H-pyrazol-5-yl)tetrahydrofuran-2-carboxamide
CID 50983473
(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)oxane-2-carboxamide
CID 28391732
(2R)-N-(1-ethyl-4-methylpyrazol-5-yl)oxane-2-carboxamide
CID 28391734
N-[(1-methylpyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 45153830
N-(1-methyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 45352996
N-(1-ethyl-4-methyl-1H-pyrazol-5-yl)tetrahydro-2H-pyran-2-carboxamide
CID 45929277
N-(1-butyl-4-methyl-1H-pyrazol-5-yl)-3-isopropyl-4,5-dihydroisoxazole-5-carboxamide
CID 46998301
(5S)-N-(1-butyl-4-methylpyrazol-5-yl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 52399395

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide (CID 104592718) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)Nc2nn(C)cc2CN)O1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide?
The InChIKey is YFOIZYFHIYWINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-3-4-9(17-7)11(16)13-10-8(5-12)6-15(2)14-10/h6-7,9H,3-5,12H2,1-2H3,(H,13,14,16).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 104592718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).