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

C11H20N4O2 — CID 63754379

IUPACN-(2-amino-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
SMILESCOCC(N)CN(C)C(=O)c1cnn(C)c1C
InChIInChI=1S/C11H20N4O2/c1-8-10(5-13-15(8)3)11(16)14(2)6-9(12)7-17-4/h5,9H,6-7,12H2,1-4H3
InChIKeyLSJALKOXBBGKTL-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.23
Rot. Bonds5

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

N-(2-amino-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide (PubChem CID 63754379) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(2-amino-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
PubChem CID63754379
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(2-amino-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
SMILESCOCC(N)CN(C)C(=O)c1cnn(C)c1C
InChIInChI=1S/C11H20N4O2/c1-8-10(5-13-15(8)3)11(16)14(2)6-9(12)7-17-4/h5,9H,6-7,12H2,1-4H3
InChIKeyLSJALKOXBBGKTL-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

methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate
CID 55008401
N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 62333069
N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 102802456
N-(2-amino-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103123058
N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide
CID 63753834
N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 60922468
N-(2-amino-3-methoxypropyl)-N-methylbenzamide
CID 63753648
N-(5-bromopentyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 107206006
N-(2-amino-3-methoxypropyl)-N,2-dimethylpropanamide
CID 63754189
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,1,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide (CID 63754379) is N-(2-amino-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide is COCC(N)CN(C)C(=O)c1cnn(C)c1C.
What is the InChIKey of N-(2-amino-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide?
The InChIKey is LSJALKOXBBGKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8-10(5-13-15(8)3)11(16)14(2)6-9(12)7-17-4/h5,9H,6-7,12H2,1-4H3.
What are the key properties of N-(2-amino-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide?
N-(2-amino-3-methoxypropyl)-N,1,5-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,1,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 63754379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).