N-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

C16H26N4O2 — CID 129003284

IUPACN-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)N(CC2CC2)CC2CN(C)CCO2)n[nH]1
InChIInChI=1S/C16H26N4O2/c1-12-7-14(18-17-12)8-16(21)20(9-13-3-4-13)11-15-10-19(2)5-6-22-15/h7,13,15H,3-6,8-11H2,1-2H3,(H,17,18)
InChIKeyYRJKYQHZXRVZII-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.83
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

N-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 129003284) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID129003284
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)N(CC2CC2)CC2CN(C)CCO2)n[nH]1
InChIInChI=1S/C16H26N4O2/c1-12-7-14(18-17-12)8-16(21)20(9-13-3-4-13)11-15-10-19(2)5-6-22-15/h7,13,15H,3-6,8-11H2,1-2H3,(H,17,18)
InChIKeyYRJKYQHZXRVZII-UHFFFAOYSA-N
XLogP0.83
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 78862552
N-(2-methoxy-2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 91644372
(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 93610433
2-(5-methyl-1H-pyrazol-3-yl)-1-(2,4,6-trimethylpiperazin-1-yl)ethanone
CID 132283120
2-(1H-pyrazol-5-yl)-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]ethanone
CID 164643458
4-(3-{1-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-3-piperidinyl}propanoyl)morpholine
CID 45211316
2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 72121234
(2S)-2-(cyclopropylmethoxy)-1-[(3S)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 96104400
(2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 96104401
(2S)-2-(cyclopropylmethoxy)-1-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 96104402
(2R)-2-(cyclopropylmethoxy)-1-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 96104403
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
CID 154873762

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 129003284) is N-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(CC(=O)N(CC2CC2)CC2CN(C)CCO2)n[nH]1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is YRJKYQHZXRVZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-7-14(18-17-12)8-16(21)20(9-13-3-4-13)11-15-10-19(2)5-6-22-15/h7,13,15H,3-6,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(4-methylmorpholin-2-yl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 129003284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).