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

C16H28N8O — CID 45247312

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCc1cc(C)n(CC(C)NC(=O)Cn2nnnc2CN(C)C(C)C)n1
InChIInChI=1S/C16H28N8O/c1-11(2)22(6)9-15-18-20-21-24(15)10-16(25)17-13(4)8-23-14(5)7-12(3)19-23/h7,11,13H,8-10H2,1-6H3,(H,17,25)
InChIKeyKTPQZIQMJZCALN-UHFFFAOYSA-N
MW348.46 g/mol
LogP0.53
Rot. Bonds8

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

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (PubChem CID 45247312) has the molecular formula C16H28N8O and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
PubChem CID45247312
Molecular FormulaC16H28N8O
Molecular Weight348.46 g/mol
Exact Mass348.24
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCc1cc(C)n(CC(C)NC(=O)Cn2nnnc2CN(C)C(C)C)n1
InChIInChI=1S/C16H28N8O/c1-11(2)22(6)9-15-18-20-21-24(15)10-16(25)17-13(4)8-23-14(5)7-12(3)19-23/h7,11,13H,8-10H2,1-6H3,(H,17,25)
InChIKeyKTPQZIQMJZCALN-UHFFFAOYSA-N
XLogP0.53
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-pyrrolidin-1-ylacetamide
CID 2332241
2-(5-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]methyl}-1H-tetrazol-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]acetamide
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
3-(3,5-Dimethylpyrazol-1-yl)-1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 72142805
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-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]-2-(1H-tetrazol-1-yl)acetamide
CID 46997560
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 90651873
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide
CID 97028796
(2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97145912
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97197632

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (CID 45247312) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is Cc1cc(C)n(CC(C)NC(=O)Cn2nnnc2CN(C)C(C)C)n1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The InChIKey is KTPQZIQMJZCALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N8O/c1-11(2)22(6)9-15-18-20-21-24(15)10-16(25)17-13(4)8-23-14(5)7-12(3)19-23/h7,11,13H,8-10H2,1-6H3,(H,17,25).
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide has a molecular weight of 348.46 g/mol, XLogP of 0.53, 8 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-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 45247312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).