3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide

C9H16N4O — CID 146680522

IUPAC3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cn(CC)nc1N
InChIInChI=1S/C9H16N4O/c1-4-12(3)9(14)7-6-13(5-2)11-8(7)10/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyCRXNDPQMSAINLS-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.58
Rot. Bonds3

About 3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide

3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide (PubChem CID 146680522) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide
PubChem CID146680522
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cn(CC)nc1N
InChIInChI=1S/C9H16N4O/c1-4-12(3)9(14)7-6-13(5-2)11-8(7)10/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyCRXNDPQMSAINLS-UHFFFAOYSA-N
XLogP0.58
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680585
3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide
CID 146680632
3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide
CID 146680636
4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide
CID 65359090
3-amino-N-ethyl-1-propylpyrazole-4-carboxamide
CID 146680638
3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide
CID 60807966
4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 65358594
1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477840
1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one
CID 174646384
ethyl 3-amino-1-(2,2-difluoroethyl)pyrazole-4-carboxylate
CID 97298350
4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide
CID 65358116
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477847

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide?
The IUPAC name of 3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide (CID 146680522) is 3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide is CCN(C)C(=O)c1cn(CC)nc1N.
What is the InChIKey of 3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide?
The InChIKey is CRXNDPQMSAINLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-12(3)9(14)7-6-13(5-2)11-8(7)10/h6H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide?
3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 146680522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).