N-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide

C19H24N6O2 — CID 91912241

IUPACN-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCCn1nccc1C(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)c1cnc(C)cn1)C2
InChIInChI=1S/C19H24N6O2/c1-3-24-17(6-7-22-24)19(27)25-14-4-5-15(25)9-13(8-14)23-18(26)16-11-20-12(2)10-21-16/h6-7,10-11,13-15H,3-5,8-9H2,1-2H3,(H,23,26)/t13?,14-,15+
InChIKeySMWMXSMAGZKSTE-GOOCMWNKSA-N
MW368.44 g/mol
LogP1.57
Rot. Bonds4

About N-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide

N-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 91912241) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
PubChem CID91912241
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCCn1nccc1C(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)c1cnc(C)cn1)C2
InChIInChI=1S/C19H24N6O2/c1-3-24-17(6-7-22-24)19(27)25-14-4-5-15(25)9-13(8-14)23-18(26)16-11-20-12(2)10-21-16/h6-7,10-11,13-15H,3-5,8-9H2,1-2H3,(H,23,26)/t13?,14-,15+
InChIKeySMWMXSMAGZKSTE-GOOCMWNKSA-N
XLogP1.57
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (CID 91912241) is N-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is CCn1nccc1C(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)c1cnc(C)cn1)C2.
What is the InChIKey of N-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is SMWMXSMAGZKSTE-GOOCMWNKSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-3-24-17(6-7-22-24)19(27)25-14-4-5-15(25)9-13(8-14)23-18(26)16-11-20-12(2)10-21-16/h6-7,10-11,13-15H,3-5,8-9H2,1-2H3,(H,23,26)/t13?,14-,15+.
What are the key properties of N-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
N-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 91912241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).