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

C14H22N4O2 — CID 63005680

IUPACN-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCc2c1cnn2CCO)C1CCNC1
InChIInChI=1S/C14H22N4O2/c19-7-6-18-13-3-1-2-12(11(13)9-16-18)17-14(20)10-4-5-15-8-10/h9-10,12,15,19H,1-8H2,(H,17,20)
InChIKeyMQYZCVVGBUFJIA-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.02
Rot. Bonds4

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

N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide (PubChem CID 63005680) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide
PubChem CID63005680
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCc2c1cnn2CCO)C1CCNC1
InChIInChI=1S/C14H22N4O2/c19-7-6-18-13-3-1-2-12(11(13)9-16-18)17-14(20)10-4-5-15-8-10/h9-10,12,15,19H,1-8H2,(H,17,20)
InChIKeyMQYZCVVGBUFJIA-UHFFFAOYSA-N
XLogP-0.02
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.02
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]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide (CID 63005680) is N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide is O=C(NC1CCCc2c1cnn2CCO)C1CCNC1.
What is the InChIKey of N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is MQYZCVVGBUFJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-7-6-18-13-3-1-2-12(11(13)9-16-18)17-14(20)10-4-5-15-8-10/h9-10,12,15,19H,1-8H2,(H,17,20).
What are the key properties of N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide?
N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of -0.02, 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]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).