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

C14H22N4O2 — CID 61156494

IUPAC(2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCc2c1cnn2CCO)[C@@H]1CCCN1
InChIInChI=1S/C14H22N4O2/c19-8-7-18-13-5-1-3-11(10(13)9-16-18)17-14(20)12-4-2-6-15-12/h9,11-12,15,19H,1-8H2,(H,17,20)/t11?,12-/m0/s1
InChIKeyZMBAGNREMNMCJO-KIYNQFGBSA-N
MW278.36 g/mol
LogP0.12
Rot. Bonds4

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

(2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide (PubChem CID 61156494) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide
PubChem CID61156494
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCc2c1cnn2CCO)[C@@H]1CCCN1
InChIInChI=1S/C14H22N4O2/c19-8-7-18-13-5-1-3-11(10(13)9-16-18)17-14(20)12-4-2-6-15-12/h9,11-12,15,19H,1-8H2,(H,17,20)/t11?,12-/m0/s1
InChIKeyZMBAGNREMNMCJO-KIYNQFGBSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-2-carboxamide
CID 104912794
2-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 43695835
N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylpyrrolidine-3-carboxamide
CID 63139711
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
CID 62728115
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 63679207
4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide
CID 79204522
1-[2-(4-fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 42962126
N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(prop-2-ynylamino)acetamide
CID 79286729
2-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl]acetic acid
CID 43697511
2-[4-(piperidin-3-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 80554278
1-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-3-ylurea
CID 94125968
2-[4-[(1,1-dioxothiolan-3-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 63162906

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide (CID 61156494) is (2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide is O=C(NC1CCCc2c1cnn2CCO)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is ZMBAGNREMNMCJO-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-8-7-18-13-5-1-3-11(10(13)9-16-18)17-14(20)12-4-2-6-15-12/h9,11-12,15,19H,1-8H2,(H,17,20)/t11?,12-/m0/s1.
What are the key properties of (2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide?
(2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61156494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).