2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide

C16H27N5O2 — CID 92634378

IUPAC2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide
SMILESCCn1nccc1C(=O)N1CCC[C@@H](NC(=O)CN(C)C)CC1
InChIInChI=1S/C16H27N5O2/c1-4-21-14(7-9-17-21)16(23)20-10-5-6-13(8-11-20)18-15(22)12-19(2)3/h7,9,13H,4-6,8,10-12H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeyDHACBBHXCMJEMP-CYBMUJFWSA-N
MW321.43 g/mol
LogP0.58
Rot. Bonds5

About 2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide

2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide (PubChem CID 92634378) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide
PubChem CID92634378
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide
SMILESCCn1nccc1C(=O)N1CCC[C@@H](NC(=O)CN(C)C)CC1
InChIInChI=1S/C16H27N5O2/c1-4-21-14(7-9-17-21)16(23)20-10-5-6-13(8-11-20)18-15(22)12-19(2)3/h7,9,13H,4-6,8,10-12H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeyDHACBBHXCMJEMP-CYBMUJFWSA-N
XLogP0.58
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 99961743
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
4-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97193909
(2-ethylpyrazol-3-yl)-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70788415
(2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone
CID 53150962
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
[4-[2-(cyclopropylmethoxy)ethyl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 71841527
1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide
CID 110246499
5-[1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201708
[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56899449
(3R)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96572670
N-[1-[[4-hydroxy-1-(2-propylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123185

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide (CID 92634378) is 2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide is CCn1nccc1C(=O)N1CCC[C@@H](NC(=O)CN(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide?
The InChIKey is DHACBBHXCMJEMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-4-21-14(7-9-17-21)16(23)20-10-5-6-13(8-11-20)18-15(22)12-19(2)3/h7,9,13H,4-6,8,10-12H2,1-3H3,(H,18,22)/t13-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide?
2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide has a molecular weight of 321.43 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(4R)-1-(2-ethylpyrazole-3-carbonyl)azepan-4-yl]acetamide is sourced from PubChem (CID 92634378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).