N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide

C16H19BrN4O — CID 119333340

IUPACN-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(CCn2cc(Br)cn2)cc1)C1CCCN1
InChIInChI=1S/C16H19BrN4O/c17-13-10-19-21(11-13)9-7-12-3-5-14(6-4-12)20-16(22)15-2-1-8-18-15/h3-6,10-11,15,18H,1-2,7-9H2,(H,20,22)
InChIKeyOESYEKDHHQXPOL-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.58
Rot. Bonds5

About N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide

N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 119333340) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID119333340
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(CCn2cc(Br)cn2)cc1)C1CCCN1
InChIInChI=1S/C16H19BrN4O/c17-13-10-19-21(11-13)9-7-12-3-5-14(6-4-12)20-16(22)15-2-1-8-18-15/h3-6,10-11,15,18H,1-2,7-9H2,(H,20,22)
InChIKeyOESYEKDHHQXPOL-UHFFFAOYSA-N
XLogP2.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
(2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 103813532
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61179722
N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide
CID 119315477
(2R)-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-2-carboxamide
CID 119860916
(2S)-N-(1-ethylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119292192
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
(2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61163094
N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide
CID 119312708
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide (CID 119333340) is N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)C1CCCN1.
What is the InChIKey of N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is OESYEKDHHQXPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c17-13-10-19-21(11-13)9-7-12-3-5-14(6-4-12)20-16(22)15-2-1-8-18-15/h3-6,10-11,15,18H,1-2,7-9H2,(H,20,22).
What are the key properties of N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide?
N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-bromopyrazol-1-yl)ethyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119333340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).