N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide

C17H27N7O — CID 56781065

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1nc(C)n(CC2CCCN(CC(=O)Nc3c(C)n[nH]c3C)C2)n1
InChIInChI=1S/C17H27N7O/c1-11-17(12(2)21-20-11)19-16(25)10-23-7-5-6-15(8-23)9-24-14(4)18-13(3)22-24/h15H,5-10H2,1-4H3,(H,19,25)(H,20,21)
InChIKeySGZDKGCDOXXNET-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.59
Rot. Bonds5

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 56781065) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide
PubChem CID56781065
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1nc(C)n(CC2CCCN(CC(=O)Nc3c(C)n[nH]c3C)C2)n1
InChIInChI=1S/C17H27N7O/c1-11-17(12(2)21-20-11)19-16(25)10-23-7-5-6-15(8-23)9-24-14(4)18-13(3)22-24/h15H,5-10H2,1-4H3,(H,19,25)(H,20,21)
InChIKeySGZDKGCDOXXNET-UHFFFAOYSA-N
XLogP1.59
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 53572104
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 53585722
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53612715
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 53622842
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide
CID 56781837
2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 56877804
2-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 71932516
2-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71932735
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide
CID 72115342
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 72141037
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 72149326
2-(5-cyclopentyltetrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71879344

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide (CID 56781065) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide is Cc1nc(C)n(CC2CCCN(CC(=O)Nc3c(C)n[nH]c3C)C2)n1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is SGZDKGCDOXXNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-11-17(12(2)21-20-11)19-16(25)10-23-7-5-6-15(8-23)9-24-14(4)18-13(3)22-24/h15H,5-10H2,1-4H3,(H,19,25)(H,20,21).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 56781065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).