1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide

C12H19BrN4O — CID 114082448

IUPAC1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCn1nc(C)c(Br)c1CN1CCC(C(N)=O)C1
InChIInChI=1S/C12H19BrN4O/c1-3-17-10(11(13)8(2)15-17)7-16-5-4-9(6-16)12(14)18/h9H,3-7H2,1-2H3,(H2,14,18)
InChIKeyAVRPDJRDVLUQKW-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.28
Rot. Bonds4

About 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide

1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 114082448) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID114082448
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCn1nc(C)c(Br)c1CN1CCC(C(N)=O)C1
InChIInChI=1S/C12H19BrN4O/c1-3-17-10(11(13)8(2)15-17)7-16-5-4-9(6-16)12(14)18/h9H,3-7H2,1-2H3,(H2,14,18)
InChIKeyAVRPDJRDVLUQKW-UHFFFAOYSA-N
XLogP1.28
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943445
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine
CID 82701961
1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-2-yl]ethanamine
CID 115315705
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211634
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine
CID 83062124
ethyl (3S)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidine-3-carboxylate
CID 115536573
1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116576526
(3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine
CID 115301850
4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1,4-thiazepane 1,1-dioxide
CID 114083665
[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103441749
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(thian-4-yl)propan-2-one
CID 105109537
1-(1-aminocyclohexyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116550456

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide (CID 114082448) is 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide is CCn1nc(C)c(Br)c1CN1CCC(C(N)=O)C1.
What is the InChIKey of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is AVRPDJRDVLUQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-3-17-10(11(13)8(2)15-17)7-16-5-4-9(6-16)12(14)18/h9H,3-7H2,1-2H3,(H2,14,18).
What are the key properties of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide?
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 315.22 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 114082448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).