N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C21H28N4O — CID 75390383

IUPACN-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESO=C(NCC1CCN(CCc2ccccc2)C1)C1CCc2[nH]ncc2C1
InChIInChI=1S/C21H28N4O/c26-21(18-6-7-20-19(12-18)14-23-24-20)22-13-17-9-11-25(15-17)10-8-16-4-2-1-3-5-16/h1-5,14,17-18H,6-13,15H2,(H,22,26)(H,23,24)
InChIKeyURJSTNPXBPRONW-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.20
Rot. Bonds6

About N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 75390383) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID75390383
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESO=C(NCC1CCN(CCc2ccccc2)C1)C1CCc2[nH]ncc2C1
InChIInChI=1S/C21H28N4O/c26-21(18-6-7-20-19(12-18)14-23-24-20)22-13-17-9-11-25(15-17)10-8-16-4-2-1-3-5-16/h1-5,14,17-18H,6-13,15H2,(H,22,26)(H,23,24)
InChIKeyURJSTNPXBPRONW-UHFFFAOYSA-N
XLogP2.20
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 163295899
5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 136523505
3-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119866949
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 56703727
(2S)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081520
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 95570929
2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 75369445
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119866991
4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide
CID 154755126
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-prop-2-enylurea
CID 95570926
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 100844139

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 75390383) is N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is O=C(NCC1CCN(CCc2ccccc2)C1)C1CCc2[nH]ncc2C1.
What is the InChIKey of N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is URJSTNPXBPRONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-21(18-6-7-20-19(12-18)14-23-24-20)22-13-17-9-11-25(15-17)10-8-16-4-2-1-3-5-16/h1-5,14,17-18H,6-13,15H2,(H,22,26)(H,23,24).
What are the key properties of N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 75390383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).