3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide

C10H16N4O2 — CID 64524424

IUPAC3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(N)n[nH]1)C1CCOCC1
InChIInChI=1S/C10H16N4O2/c1-14(7-2-4-16-5-3-7)10(15)8-6-9(11)13-12-8/h6-7H,2-5H2,1H3,(H3,11,12,13)
InChIKeyCVHPTAQSHFUAQF-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.24
Rot. Bonds2

About 3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide

3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 64524424) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID64524424
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(N)n[nH]1)C1CCOCC1
InChIInChI=1S/C10H16N4O2/c1-14(7-2-4-16-5-3-7)10(15)8-6-9(11)13-12-8/h6-7H,2-5H2,1H3,(H3,11,12,13)
InChIKeyCVHPTAQSHFUAQF-UHFFFAOYSA-N
XLogP0.24
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64523858
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CID 64524026
6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 62154308
4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62075730
6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 62156515
4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 55160806
4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide
CID 43644107
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
oxolan-3-ylmethyl 3-amino-1H-pyrazole-5-carboxylate
CID 64526057
N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
CID 43611577
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
CID 70099626

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide (CID 64524424) is 3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide is CN(C(=O)c1cc(N)n[nH]1)C1CCOCC1.
What is the InChIKey of 3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is CVHPTAQSHFUAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14(7-2-4-16-5-3-7)10(15)8-6-9(11)13-12-8/h6-7H,2-5H2,1H3,(H3,11,12,13).
What are the key properties of 3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide?
3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).