2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide

C13H25N5O — CID 50955053

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide
SMILESCCN(CCN(C)C)C(=O)C(N)c1c(C)n[nH]c1C
InChIInChI=1S/C13H25N5O/c1-6-18(8-7-17(4)5)13(19)12(14)11-9(2)15-16-10(11)3/h12H,6-8,14H2,1-5H3,(H,15,16)
InChIKeyCYDANHCFDASGGQ-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.44
Rot. Bonds6

About 2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide

2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide (PubChem CID 50955053) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide
PubChem CID50955053
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide
SMILESCCN(CCN(C)C)C(=O)C(N)c1c(C)n[nH]c1C
InChIInChI=1S/C13H25N5O/c1-6-18(8-7-17(4)5)13(19)12(14)11-9(2)15-16-10(11)3/h12H,6-8,14H2,1-5H3,(H,15,16)
InChIKeyCYDANHCFDASGGQ-UHFFFAOYSA-N
XLogP0.44
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 46988868
9-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56742112
11-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754333
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 70718457
4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72869349
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950848
2-Amino-2-(3,5-dimethyl-1H-pyrazol-4-YL)-N-{[1-(2-methoxyethyl)piperidin-4-YL]methyl}-N-methylacetamide
CID 70747717
2-azocan-1-yl-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethanamine
CID 70758046
1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxo-2-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanamine
CID 72918107
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-oxoazepane-2-carboxamide
CID 91908906
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 70740924
(3R*,4S*)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine
CID 72838660

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide (CID 50955053) is 2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide is CCN(CCN(C)C)C(=O)C(N)c1c(C)n[nH]c1C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide?
The InChIKey is CYDANHCFDASGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-6-18(8-7-17(4)5)13(19)12(14)11-9(2)15-16-10(11)3/h12H,6-8,14H2,1-5H3,(H,15,16).
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide?
2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide has a molecular weight of 267.38 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide is sourced from PubChem (CID 50955053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).