N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide

C9H11N5O2 — CID 166241443

IUPACN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1noc(CN(C)C(=O)c2cn[nH]c2)n1
InChIInChI=1S/C9H11N5O2/c1-6-12-8(16-13-6)5-14(2)9(15)7-3-10-11-4-7/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyRXKBUNKUKZRXOL-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.37
Rot. Bonds3

About N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide

N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 166241443) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID166241443
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1noc(CN(C)C(=O)c2cn[nH]c2)n1
InChIInChI=1S/C9H11N5O2/c1-6-12-8(16-13-6)5-14(2)9(15)7-3-10-11-4-7/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyRXKBUNKUKZRXOL-UHFFFAOYSA-N
XLogP0.37
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(dimethylamino)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 118782158
N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 63701216
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 77085626
N-methyl-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 118467869
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 122144804
N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide
CID 60959519
N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 107205772
2-[(4-chlorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 72859144
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 24649039
3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 110835054
N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 102978931
N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide
CID 28769271

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide (CID 166241443) is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide is Cc1noc(CN(C)C(=O)c2cn[nH]c2)n1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is RXKBUNKUKZRXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-6-12-8(16-13-6)5-14(2)9(15)7-3-10-11-4-7/h3-4H,5H2,1-2H3,(H,10,11).
What are the key properties of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide?
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 221.22 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166241443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).