N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C19H23Cl2N5O — CID 120921753

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H22ClN5O.ClH/c20-15-2-3-17-16(12-15)14(13-23-17)4-8-22-18(26)19(5-9-21-10-6-19)25-11-1-7-24-25;/h1-3,7,11-13,21,23H,4-6,8-10H2,(H,22,26);1H
InChIKeyQFHAUULTYITMNM-UHFFFAOYSA-N
MW408.33 g/mol
LogP2.88
Rot. Bonds5

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120921753) has the molecular formula C19H23Cl2N5O and a molecular weight of 408.33 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120921753
Molecular FormulaC19H23Cl2N5O
Molecular Weight408.33 g/mol
Exact Mass407.13
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H22ClN5O.ClH/c20-15-2-3-17-16(12-15)14(13-23-17)4-8-22-18(26)19(5-9-21-10-6-19)25-11-1-7-24-25;/h1-3,7,11-13,21,23H,4-6,8-10H2,(H,22,26);1H
InChIKeyQFHAUULTYITMNM-UHFFFAOYSA-N
XLogP2.88
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 91652383
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918698
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936471
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120927526
N-[2-oxo-2-(2-phenylethylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929101
N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777
N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924924
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918387
N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938113
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931395
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120941529

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120921753) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is QFHAUULTYITMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O.ClH/c20-15-2-3-17-16(12-15)14(13-23-17)4-8-22-18(26)19(5-9-21-10-6-19)25-11-1-7-24-25;/h1-3,7,11-13,21,23H,4-6,8-10H2,(H,22,26);1H.
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 408.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120921753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).