4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

C13H25N5O — CID 66119287

IUPAC4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CCCN(C)C)c1N
InChIInChI=1S/C13H25N5O/c1-6-10-11(14)12(18(5)15-10)13(19)17(4)9-7-8-16(2)3/h6-9,14H2,1-5H3
InChIKeyNAWLUAIBLCBWSN-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.59
Rot. Bonds6

About 4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 66119287) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID66119287
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CCCN(C)C)c1N
InChIInChI=1S/C13H25N5O/c1-6-10-11(14)12(18(5)15-10)13(19)17(4)9-7-8-16(2)3/h6-9,14H2,1-5H3
InChIKeyNAWLUAIBLCBWSN-UHFFFAOYSA-N
XLogP0.59
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66124522
4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide
CID 66119069
4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66122803
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
CID 66125502
4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide
CID 66125494
4-amino-3-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1-methylpyrazole-5-carboxamide
CID 66116760
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66125318
4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide
CID 66116977
4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66116761
4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide
CID 66119492
4-amino-3-ethyl-N-(2-methoxyphenyl)-N,1-dimethylpyrazole-5-carboxamide
CID 66116756
4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66123561

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (CID 66119287) is 4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(C)CCCN(C)C)c1N.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is NAWLUAIBLCBWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-6-10-11(14)12(18(5)15-10)13(19)17(4)9-7-8-16(2)3/h6-9,14H2,1-5H3.
What are the key properties of 4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66119287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).