4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide

C13H18N4O2 — CID 66116333

IUPAC4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ccc(C)o2)c1N
InChIInChI=1S/C13H18N4O2/c1-4-10-11(14)12(17(3)16-10)13(18)15-7-9-6-5-8(2)19-9/h5-6H,4,7,14H2,1-3H3,(H,15,18)
InChIKeyMKGNSNPJPNECGY-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.40
Rot. Bonds4

About 4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide

4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide (PubChem CID 66116333) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide
PubChem CID66116333
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ccc(C)o2)c1N
InChIInChI=1S/C13H18N4O2/c1-4-10-11(14)12(17(3)16-10)13(18)15-7-9-6-5-8(2)19-9/h5-6H,4,7,14H2,1-3H3,(H,15,18)
InChIKeyMKGNSNPJPNECGY-UHFFFAOYSA-N
XLogP1.40
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66123758
4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66122977
4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide
CID 66123952
1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 39854570
4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123377
4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide
CID 79756140
4-amino-3-ethyl-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123361
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124345
4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 115405271
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
4-amino-3-ethyl-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
CID 66124158
4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 82799743

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide (CID 66116333) is 4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCc2ccc(C)o2)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is MKGNSNPJPNECGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-10-11(14)12(17(3)16-10)13(18)15-7-9-6-5-8(2)19-9/h5-6H,4,7,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide?
4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 66116333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).