4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide

C10H18N4O — CID 65358594

IUPAC4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)C(C)C)n1
InChIInChI=1S/C10H18N4O/c1-5-14-6-8(11)9(12-14)10(15)13(4)7(2)3/h6-7H,5,11H2,1-4H3
InChIKeyAKUZMAOHBFWMHY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.97
Rot. Bonds3

About 4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide

4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 65358594) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide
PubChem CID65358594
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)C(C)C)n1
InChIInChI=1S/C10H18N4O/c1-5-14-6-8(11)9(12-14)10(15)13(4)7(2)3/h6-7H,5,11H2,1-4H3
InChIKeyAKUZMAOHBFWMHY-UHFFFAOYSA-N
XLogP0.97
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide
CID 1220992
Azepan-1-yl-(1-ethyl-4-nitropyrazol-3-yl)methanone
CID 841601
1-({4-nitro-1-methyl-1H-pyrazol-3-yl}carbonyl)azepane
CID 903178
1-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135449549
N-cycloheptyl-4-nitro-1-methyl-1H-pyrazole-3-carboxamide
CID 903179
N-cyclooctyl-1-methyl-4-nitropyrazole-3-carboxamide
CID 841499
4-amino-1-methyl-1H-pyrazole-3-carboxamide
CID 6485351
4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
N-cyclohexyl-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
CID 1084303
N-cyclohexyl-2-methyl-4-nitropyrazole-3-carboxamide
CID 745365
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide (CID 65358594) is 4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)N(C)C(C)C)n1.
What is the InChIKey of 4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is AKUZMAOHBFWMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-5-14-6-8(11)9(12-14)10(15)13(4)7(2)3/h6-7H,5,11H2,1-4H3.
What are the key properties of 4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide?
4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 65358594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).