4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide

C13H17N5O — CID 66123324

IUPAC4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)Nc1cnccc1C
InChIInChI=1S/C13H17N5O/c1-4-18-12(11(14)9(3)17-18)13(19)16-10-7-15-6-5-8(10)2/h5-7H,4,14H2,1-3H3,(H,16,19)
InChIKeyBHBHMJZVZKWRNV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.75
Rot. Bonds3

About 4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide

4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide (PubChem CID 66123324) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide
PubChem CID66123324
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)Nc1cnccc1C
InChIInChI=1S/C13H17N5O/c1-4-18-12(11(14)9(3)17-18)13(19)16-10-7-15-6-5-8(10)2/h5-7H,4,14H2,1-3H3,(H,16,19)
InChIKeyBHBHMJZVZKWRNV-UHFFFAOYSA-N
XLogP1.75
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-3-methyl-N-(3-methyl-4-pyridinyl)pyrazole-5-carboxamide
CID 66124484
4-amino-3-ethyl-1-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide
CID 66117820
4-amino-N-(2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123274
4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123080
4-amino-N-(2,3-difluorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66124065
4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide
CID 66124650
4-amino-N-(4-bromo-2-chlorophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123476
4-amino-1-ethyl-N-(4-methoxy-3-methylphenyl)-3-methylpyrazole-5-carboxamide
CID 66123117
4-amino-1-ethyl-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-5-carboxamide
CID 66125631
4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide
CID 66122946
4-amino-1-ethyl-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 66123130
2-(ethylamino)-N-(4-methyl-3-pyridinyl)acetamide
CID 63327490

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide (CID 66123324) is 4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)Nc1cnccc1C.
What is the InChIKey of 4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide?
The InChIKey is BHBHMJZVZKWRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-4-18-12(11(14)9(3)17-18)13(19)16-10-7-15-6-5-8(10)2/h5-7H,4,14H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide?
4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-3-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66123324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).