N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C14H17BrN4OS — CID 120925468

IUPACN-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(NCc1csc(Br)c1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C14H17BrN4OS/c15-12-8-11(10-21-12)9-17-13(20)14(2-5-16-6-3-14)19-7-1-4-18-19/h1,4,7-8,10,16H,2-3,5-6,9H2,(H,17,20)
InChIKeyNTBDEBWVVACKJR-UHFFFAOYSA-N
MW369.29 g/mol
LogP2.10
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120925468) has the molecular formula C14H17BrN4OS and a molecular weight of 369.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120925468
Molecular FormulaC14H17BrN4OS
Molecular Weight369.29 g/mol
Exact Mass368.03
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(NCc1csc(Br)c1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C14H17BrN4OS/c15-12-8-11(10-21-12)9-17-13(20)14(2-5-16-6-3-14)19-7-1-4-18-19/h1,4,7-8,10,16H,2-3,5-6,9H2,(H,17,20)
InChIKeyNTBDEBWVVACKJR-UHFFFAOYSA-N
XLogP2.10
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120920271
N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923550
N-[(3-chloro-4-fluorophenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921977
N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920936
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120941211
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925254
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-[(1-benzylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924950
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922992
N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922663
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120925468) is N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(NCc1csc(Br)c1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is NTBDEBWVVACKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4OS/c15-12-8-11(10-21-12)9-17-13(20)14(2-5-16-6-3-14)19-7-1-4-18-19/h1,4,7-8,10,16H,2-3,5-6,9H2,(H,17,20).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 369.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120925468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).