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

C10H16N4O2 — CID 104592788

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]oxolane-2-carboxamide
SMILESCn1cc(CN)c(NC(=O)C2CCCO2)n1
InChIInChI=1S/C10H16N4O2/c1-14-6-7(5-11)9(13-14)12-10(15)8-3-2-4-16-8/h6,8H,2-5,11H2,1H3,(H,12,13,15)
InChIKeyXXGUESPZCIDEBX-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.00
Rot. Bonds3

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

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]oxolane-2-carboxamide (PubChem CID 104592788) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]oxolane-2-carboxamide
PubChem CID104592788
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]oxolane-2-carboxamide
SMILESCn1cc(CN)c(NC(=O)C2CCCO2)n1
InChIInChI=1S/C10H16N4O2/c1-14-6-7(5-11)9(13-14)12-10(15)8-3-2-4-16-8/h6,8H,2-5,11H2,1H3,(H,12,13,15)
InChIKeyXXGUESPZCIDEBX-UHFFFAOYSA-N
XLogP-0.00
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide
CID 39965405
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
N-(2-cyclohexylpyrazol-3-yl)oxolane-2-carboxamide
CID 17390512
(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-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide
CID 42892459
N-[(1-methylpyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 45153830
N-(1-methyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 45352996

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]oxolane-2-carboxamide (CID 104592788) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]oxolane-2-carboxamide is Cn1cc(CN)c(NC(=O)C2CCCO2)n1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]oxolane-2-carboxamide?
The InChIKey is XXGUESPZCIDEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14-6-7(5-11)9(13-14)12-10(15)8-3-2-4-16-8/h6,8H,2-5,11H2,1H3,(H,12,13,15).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]oxolane-2-carboxamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]oxolane-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of -0.00, 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]oxolane-2-carboxamide is sourced from PubChem (CID 104592788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).