N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide

C11H20N4O2 — CID 102802456

IUPACN-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCOCC(N)CN(C)C(=O)c1cn(C)nc1C
InChIInChI=1S/C11H20N4O2/c1-8-10(6-15(3)13-8)11(16)14(2)5-9(12)7-17-4/h6,9H,5,7,12H2,1-4H3
InChIKeyIHADUIJOUQYYRN-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.23
Rot. Bonds5

About N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide

N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide (PubChem CID 102802456) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide
PubChem CID102802456
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCOCC(N)CN(C)C(=O)c1cn(C)nc1C
InChIInChI=1S/C11H20N4O2/c1-8-10(6-15(3)13-8)11(16)14(2)5-9(12)7-17-4/h6,9H,5,7,12H2,1-4H3
InChIKeyIHADUIJOUQYYRN-UHFFFAOYSA-N
XLogP-0.23
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 103747215
N-(2-amino-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 63754379
3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide
CID 103894190
N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide
CID 103728119
N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide
CID 63753834
N-(cyanomethyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 103662448
N-(2-amino-3-methoxypropyl)-N-methylbenzamide
CID 63753648
N-(2-amino-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103123058
N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474960
N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide
CID 63754011
N-(2-amino-3-methoxypropyl)-4-(dimethylamino)-N-methylbenzamide
CID 55243321
N-(2-amino-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63753658

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide (CID 102802456) is N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide is COCC(N)CN(C)C(=O)c1cn(C)nc1C.
What is the InChIKey of N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide?
The InChIKey is IHADUIJOUQYYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8-10(6-15(3)13-8)11(16)14(2)5-9(12)7-17-4/h6,9H,5,7,12H2,1-4H3.
What are the key properties of N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide?
N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide has a molecular weight of 240.31 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102802456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).