N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide

C19H31N5O2 — CID 50979144

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N(CCOC)Cc2c(C)nn(CC)c2C)c1C
InChIInChI=1S/C19H31N5O2/c1-7-9-24-15(4)17(12-20-24)19(25)22(10-11-26-6)13-18-14(3)21-23(8-2)16(18)5/h12H,7-11,13H2,1-6H3
InChIKeyRSODPLYZHVYVTD-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.72
Rot. Bonds9

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 50979144) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide
PubChem CID50979144
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N(CCOC)Cc2c(C)nn(CC)c2C)c1C
InChIInChI=1S/C19H31N5O2/c1-7-9-24-15(4)17(12-20-24)19(25)22(10-11-26-6)13-18-14(3)21-23(8-2)16(18)5/h12H,7-11,13H2,1-6H3
InChIKeyRSODPLYZHVYVTD-UHFFFAOYSA-N
XLogP2.72
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide (CID 50979144) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)N(CCOC)Cc2c(C)nn(CC)c2C)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is RSODPLYZHVYVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-7-9-24-15(4)17(12-20-24)19(25)22(10-11-26-6)13-18-14(3)21-23(8-2)16(18)5/h12H,7-11,13H2,1-6H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.72, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 50979144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).