N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide

C15H24N4O2 — CID 63139711

IUPACN-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC2CCCc3c2cnn3CCO)CCNC1
InChIInChI=1S/C15H24N4O2/c1-15(5-6-16-10-15)14(21)18-12-3-2-4-13-11(12)9-17-19(13)7-8-20/h9,12,16,20H,2-8,10H2,1H3,(H,18,21)
InChIKeyWKSKVGKNSOHNBJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.37
Rot. Bonds4

About N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide

N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 63139711) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide
PubChem CID63139711
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC2CCCc3c2cnn3CCO)CCNC1
InChIInChI=1S/C15H24N4O2/c1-15(5-6-16-10-15)14(21)18-12-3-2-4-13-11(12)9-17-19(13)7-8-20/h9,12,16,20H,2-8,10H2,1H3,(H,18,21)
InChIKeyWKSKVGKNSOHNBJ-UHFFFAOYSA-N
XLogP0.37
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide (CID 63139711) is N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)NC2CCCc3c2cnn3CCO)CCNC1.
What is the InChIKey of N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is WKSKVGKNSOHNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(5-6-16-10-15)14(21)18-12-3-2-4-13-11(12)9-17-19(13)7-8-20/h9,12,16,20H,2-8,10H2,1H3,(H,18,21).
What are the key properties of N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide?
N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).