N-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C26H26N6O2 — CID 165379764

IUPACN-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1nn2c(C)c(-c3ccc4ccccc4c3)[nH]c(=O)c2c1C
InChIInChI=1S/C26H26N6O2/c1-5-31-21(12-13-27-31)16(3)28-25(33)22-15(2)24-26(34)29-23(17(4)32(24)30-22)20-11-10-18-8-6-7-9-19(18)14-20/h6-14,16H,5H2,1-4H3,(H,28,33)(H,29,34)
InChIKeyHSLKVJCLNCAVRS-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.17
Rot. Bonds5

About N-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 165379764) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID165379764
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1nn2c(C)c(-c3ccc4ccccc4c3)[nH]c(=O)c2c1C
InChIInChI=1S/C26H26N6O2/c1-5-31-21(12-13-27-31)16(3)28-25(33)22-15(2)24-26(34)29-23(17(4)32(24)30-22)20-11-10-18-8-6-7-9-19(18)14-20/h6-14,16H,5H2,1-4H3,(H,28,33)(H,29,34)
InChIKeyHSLKVJCLNCAVRS-UHFFFAOYSA-N
XLogP4.17
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 165379764) is N-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CCn1nccc1C(C)NC(=O)c1nn2c(C)c(-c3ccc4ccccc4c3)[nH]c(=O)c2c1C.
What is the InChIKey of N-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is HSLKVJCLNCAVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-5-31-21(12-13-27-31)16(3)28-25(33)22-15(2)24-26(34)29-23(17(4)32(24)30-22)20-11-10-18-8-6-7-9-19(18)14-20/h6-14,16H,5H2,1-4H3,(H,28,33)(H,29,34).
What are the key properties of N-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 165379764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).