4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide

C11H20N4O2 — CID 66124373

IUPAC4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide
SMILESCOCC(C)N(C)C(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C11H20N4O2/c1-7(6-17-5)14(3)11(16)10-9(12)8(2)13-15(10)4/h7H,6,12H2,1-5H3
InChIKeyRZHLQVKMDYAWDK-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.42
Rot. Bonds4

About 4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide

4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide (PubChem CID 66124373) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide
PubChem CID66124373
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide
SMILESCOCC(C)N(C)C(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C11H20N4O2/c1-7(6-17-5)14(3)11(16)10-9(12)8(2)13-15(10)4/h7H,6,12H2,1-5H3
InChIKeyRZHLQVKMDYAWDK-UHFFFAOYSA-N
XLogP0.42
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 13822925
4-amino-5-ethyl-1-(2-methoxyethyl)-1H-Pyrazole-3-carboxamide
CID 11264312
(10S)-5-ethyl-6-methyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3,6,8-trien-2-one
CID 10059827
(10S)-5,6-dimethyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3,6,8-trien-2-one
CID 44318410
(10S)-4-ethyl-6-methyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3(7),5,8-trien-2-one
CID 10082668
2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide
CID 39890766
2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide
CID 39890794
2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N,N-dimethylacetamide
CID 39892266
(10S)-4,6-dimethyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3(7),5,8-trien-2-one
CID 44318375
4-Bromo-1,3-dimethyl-N~5~-(1-methyl-2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 4770997
1-Ethyl-3-methyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione
CID 377439
1-Ethyl-3,6-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione
CID 377440

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide (CID 66124373) is 4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide is COCC(C)N(C)C(=O)c1c(N)c(C)nn1C.
What is the InChIKey of 4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide?
The InChIKey is RZHLQVKMDYAWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(6-17-5)14(3)11(16)10-9(12)8(2)13-15(10)4/h7H,6,12H2,1-5H3.
What are the key properties of 4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide?
4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66124373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).