4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide

C12H23N5O — CID 103187371

IUPAC4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide
SMILESCCN(C(=O)c1nn(C)cc1N)C(C)CN(C)C
InChIInChI=1S/C12H23N5O/c1-6-17(9(2)7-15(3)4)12(18)11-10(13)8-16(5)14-11/h8-9H,6-7,13H2,1-5H3
InChIKeyBYLNONWSLHIVHB-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.41
Rot. Bonds5

About 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide

4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide (PubChem CID 103187371) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide
PubChem CID103187371
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide
SMILESCCN(C(=O)c1nn(C)cc1N)C(C)CN(C)C
InChIInChI=1S/C12H23N5O/c1-6-17(9(2)7-15(3)4)12(18)11-10(13)8-16(5)14-11/h8-9H,6-7,13H2,1-5H3
InChIKeyBYLNONWSLHIVHB-UHFFFAOYSA-N
XLogP0.41
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide
CID 79483753
4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 65355148
4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 65355273
4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-3-carboxamide
CID 65354168
methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate
CID 65354313
4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide
CID 65354414
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide
CID 65354139
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine
CID 103187585
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 65353932
4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 65354207
4-amino-N,1-dimethyl-N-(1-thiophen-2-ylethyl)pyrazole-3-carboxamide
CID 65354170
4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrazole-3-carboxamide
CID 65354141

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide (CID 103187371) is 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide is CCN(C(=O)c1nn(C)cc1N)C(C)CN(C)C.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide?
The InChIKey is BYLNONWSLHIVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-6-17(9(2)7-15(3)4)12(18)11-10(13)8-16(5)14-11/h8-9H,6-7,13H2,1-5H3.
What are the key properties of 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide?
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103187371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).