N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide

C16H26N8O — CID 45173226

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESCc1cc(C)n(CC(C)NC(=O)Cn2nnnc2CN2CCCC2)n1
InChIInChI=1S/C16H26N8O/c1-12-8-14(3)23(19-12)9-13(2)17-16(25)11-24-15(18-20-21-24)10-22-6-4-5-7-22/h8,13H,4-7,9-11H2,1-3H3,(H,17,25)
InChIKeyJASRDZCXEVYCDX-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.29
Rot. Bonds7

About N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (PubChem CID 45173226) has the molecular formula C16H26N8O and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
PubChem CID45173226
Molecular FormulaC16H26N8O
Molecular Weight346.44 g/mol
Exact Mass346.22
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESCc1cc(C)n(CC(C)NC(=O)Cn2nnnc2CN2CCCC2)n1
InChIInChI=1S/C16H26N8O/c1-12-8-14(3)23(19-12)9-13(2)17-16(25)11-24-15(18-20-21-24)10-22-6-4-5-7-22/h8,13H,4-7,9-11H2,1-3H3,(H,17,25)
InChIKeyJASRDZCXEVYCDX-UHFFFAOYSA-N
XLogP0.29
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 24792014
N-(2,5-dimethylpyrazol-3-yl)-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53571503
5-butyl-2-{2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-pyrrolidinyl]-2-oxoethyl}-4-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 70771752
2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl)-N-(2-(6-oxo-3-(1H-1,2,4-triazol-1-yl)pyridazin-1(6H)-yl)ethyl)acetamide
CID 71805269
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]acetamide
CID 46995716
N-(2,5-dimethylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35525718
(2R)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 35536665
(2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 35536671
N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45154225
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}acetamide
CID 118795750
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}acetamide
CID 132418307
1-[(3S,4S)-3-(3-Cyclopropyl-1H-1,2,4-triazol-5-YL)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-YL]-2-(3,5-dimethyl-1H-pyrazol-1-YL)-1-ethanone
CID 137903825

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (CID 45173226) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is Cc1cc(C)n(CC(C)NC(=O)Cn2nnnc2CN2CCCC2)n1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The InChIKey is JASRDZCXEVYCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N8O/c1-12-8-14(3)23(19-12)9-13(2)17-16(25)11-24-15(18-20-21-24)10-22-6-4-5-7-22/h8,13H,4-7,9-11H2,1-3H3,(H,17,25).
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide has a molecular weight of 346.44 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 45173226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).