N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide

C16H23N7O2 — CID 121137665

IUPACN-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCOc1nc(CNC(=O)c2c(C)nn(C)c2C)nc(N2CCCC2)n1
InChIInChI=1S/C16H23N7O2/c1-10-13(11(2)22(3)21-10)14(24)17-9-12-18-15(20-16(19-12)25-4)23-7-5-6-8-23/h5-9H2,1-4H3,(H,17,24)
InChIKeyGPYZQERQFYTHTQ-UHFFFAOYSA-N
MW345.41 g/mol
LogP0.76
Rot. Bonds5

About N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 121137665) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID121137665
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC NameN-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCOc1nc(CNC(=O)c2c(C)nn(C)c2C)nc(N2CCCC2)n1
InChIInChI=1S/C16H23N7O2/c1-10-13(11(2)22(3)21-10)14(24)17-9-12-18-15(20-16(19-12)25-4)23-7-5-6-8-23/h5-9H2,1-4H3,(H,17,24)
InChIKeyGPYZQERQFYTHTQ-UHFFFAOYSA-N
XLogP0.76
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 121137665) is N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide is COc1nc(CNC(=O)c2c(C)nn(C)c2C)nc(N2CCCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is GPYZQERQFYTHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-10-13(11(2)22(3)21-10)14(24)17-9-12-18-15(20-16(19-12)25-4)23-7-5-6-8-23/h5-9H2,1-4H3,(H,17,24).
What are the key properties of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 121137665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).