N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide

C20H22N4O — CID 75834351

IUPACN-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
SMILESCC(c1ccccc1)N1CCC(NC(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C20H22N4O/c1-14(15-7-3-2-4-8-15)24-12-11-16(13-24)21-20(25)19-17-9-5-6-10-18(17)22-23-19/h2-10,14,16H,11-13H2,1H3,(H,21,25)(H,22,23)
InChIKeyBKBOTFIGWQIWBA-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.13
Rot. Bonds4

About N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide

N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide (PubChem CID 75834351) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
PubChem CID75834351
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
SMILESCC(c1ccccc1)N1CCC(NC(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C20H22N4O/c1-14(15-7-3-2-4-8-15)24-12-11-16(13-24)21-20(25)19-17-9-5-6-10-18(17)22-23-19/h2-10,14,16H,11-13H2,1H3,(H,21,25)(H,22,23)
InChIKeyBKBOTFIGWQIWBA-UHFFFAOYSA-N
XLogP3.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 51110170
N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 52768718
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
N-(1-methyl-2-methylidenepiperidin-4-yl)-1H-indazole-3-carboxamide
CID 89010317
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 94536313
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271
N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
CID 166320138
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide (CID 75834351) is N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide is CC(c1ccccc1)N1CCC(NC(=O)c2n[nH]c3ccccc23)C1.
What is the InChIKey of N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide?
The InChIKey is BKBOTFIGWQIWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14(15-7-3-2-4-8-15)24-12-11-16(13-24)21-20(25)19-17-9-5-6-10-18(17)22-23-19/h2-10,14,16H,11-13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide?
N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 75834351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).