N-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide

C18H24N6O3 — CID 167769647

IUPACN-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
SMILESCC1CC(NC(=O)CC2=NNC(=O)C2)CN1C(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C18H24N6O3/c1-10-6-12(19-15(25)7-11-8-16(26)22-20-11)9-24(10)18(27)17-13-4-2-3-5-14(13)21-23-17/h10,12H,2-9H2,1H3,(H,19,25)(H,21,23)(H,22,26)
InChIKeySBWOXYNAZYNORG-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.27
Rot. Bonds4

About N-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide

N-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide (PubChem CID 167769647) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
PubChem CID167769647
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC NameN-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
SMILESCC1CC(NC(=O)CC2=NNC(=O)C2)CN1C(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C18H24N6O3/c1-10-6-12(19-15(25)7-11-8-16(26)22-20-11)9-24(10)18(27)17-13-4-2-3-5-14(13)21-23-17/h10,12H,2-9H2,1H3,(H,19,25)(H,21,23)(H,22,26)
InChIKeySBWOXYNAZYNORG-UHFFFAOYSA-N
XLogP0.27
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide?
The IUPAC name of N-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide (CID 167769647) is N-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide.
What is the SMILES notation for N-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide?
The canonical SMILES for N-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide is CC1CC(NC(=O)CC2=NNC(=O)C2)CN1C(=O)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide?
The InChIKey is SBWOXYNAZYNORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-10-6-12(19-15(25)7-11-8-16(26)22-20-11)9-24(10)18(27)17-13-4-2-3-5-14(13)21-23-17/h10,12H,2-9H2,1H3,(H,19,25)(H,21,23)(H,22,26).
What are the key properties of N-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide?
N-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide has a molecular weight of 372.43 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide is sourced from PubChem (CID 167769647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).