N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

C19H32N8O — CID 72847972

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)Cn1nnnc1CN1CCC(C)CC1
InChIInChI=1S/C19H32N8O/c1-14-7-10-26(11-8-14)12-18-22-23-24-27(18)13-19(28)25(4)9-5-6-17-15(2)20-21-16(17)3/h14H,5-13H2,1-4H3,(H,20,21)
InChIKeyKQINCKSSNZTYCO-UHFFFAOYSA-N
MW388.52 g/mol
LogP1.34
Rot. Bonds8

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (PubChem CID 72847972) has the molecular formula C19H32N8O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
PubChem CID72847972
Molecular FormulaC19H32N8O
Molecular Weight388.52 g/mol
Exact Mass388.27
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)Cn1nnnc1CN1CCC(C)CC1
InChIInChI=1S/C19H32N8O/c1-14-7-10-26(11-8-14)12-18-22-23-24-27(18)13-19(28)25(4)9-5-6-17-15(2)20-21-16(17)3/h14H,5-13H2,1-4H3,(H,20,21)
InChIKeyKQINCKSSNZTYCO-UHFFFAOYSA-N
XLogP1.34
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 56709827
2-[5-[(4-Methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 72915623
N-cyclopropyl-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 25381684
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanamide
CID 25395881
2-[5-(1-azepanylmethyl)-1H-tetrazol-1-yl]-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylacetamide
CID 42243711
N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
CID 42287110
N-methyl-4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}-N-[(5-methyl-1H-pyrazol-3-yl)methyl]butanamide
CID 42507816
2-[5-(1-azepanylmethyl)-1H-tetrazol-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 45594790
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 126461715
[3-(3-Methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 31043964
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
CID 45249425
1-(5-{1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]piperidin-4-yl}-4-ethyl-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 72853231

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (CID 72847972) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is Cc1n[nH]c(C)c1CCCN(C)C(=O)Cn1nnnc1CN1CCC(C)CC1.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The InChIKey is KQINCKSSNZTYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N8O/c1-14-7-10-26(11-8-14)12-18-22-23-24-27(18)13-19(28)25(4)9-5-6-17-15(2)20-21-16(17)3/h14H,5-13H2,1-4H3,(H,20,21).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide has a molecular weight of 388.52 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 72847972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).