N-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

C18H28N6O — CID 56780695

IUPACN-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCCC1c1c(C)nn(C)c1C
InChIInChI=1S/C18H28N6O/c1-11-17(13(3)22(5)20-11)15-8-7-9-24(15)10-16(25)19-18-12(2)21-23(6)14(18)4/h15H,7-10H2,1-6H3,(H,19,25)
InChIKeyQCPQZXCFLNUHGP-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.16
Rot. Bonds4

About N-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

N-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (PubChem CID 56780695) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
PubChem CID56780695
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCCC1c1c(C)nn(C)c1C
InChIInChI=1S/C18H28N6O/c1-11-17(13(3)22(5)20-11)15-8-7-9-24(15)10-16(25)19-18-12(2)21-23(6)14(18)4/h15H,7-10H2,1-6H3,(H,19,25)
InChIKeyQCPQZXCFLNUHGP-UHFFFAOYSA-N
XLogP2.16
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (CID 56780695) is N-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is Cc1nn(C)c(C)c1NC(=O)CN1CCCC1c1c(C)nn(C)c1C.
What is the InChIKey of N-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is QCPQZXCFLNUHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-11-17(13(3)22(5)20-11)15-8-7-9-24(15)10-16(25)19-18-12(2)21-23(6)14(18)4/h15H,7-10H2,1-6H3,(H,19,25).
What are the key properties of N-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
N-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 56780695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).