2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide

C16H27BrN4O — CID 4773007

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide
SMILESCc1nn(C(C)C(=O)NC(C)CN2CCC(C)CC2)cc1Br
InChIInChI=1S/C16H27BrN4O/c1-11-5-7-20(8-6-11)9-12(2)18-16(22)14(4)21-10-15(17)13(3)19-21/h10-12,14H,5-9H2,1-4H3,(H,18,22)
InChIKeyIDNPWTKTXKABCF-UHFFFAOYSA-N
MW371.32 g/mol
LogP2.75
Rot. Bonds5

About 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide

2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide (PubChem CID 4773007) has the molecular formula C16H27BrN4O and a molecular weight of 371.32 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide
PubChem CID4773007
Molecular FormulaC16H27BrN4O
Molecular Weight371.32 g/mol
Exact Mass370.14
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide
SMILESCc1nn(C(C)C(=O)NC(C)CN2CCC(C)CC2)cc1Br
InChIInChI=1S/C16H27BrN4O/c1-11-5-7-20(8-6-11)9-12(2)18-16(22)14(4)21-10-15(17)13(3)19-21/h10-12,14H,5-9H2,1-4H3,(H,18,22)
InChIKeyIDNPWTKTXKABCF-UHFFFAOYSA-N
XLogP2.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4769927
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4770828
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4771290
N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 17022877
4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 19575349
4-bromo-1-methyl-N-[1-(propan-2-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 4772166
3-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-[2-(morpholin-4-yl)ethyl]propanamide
CID 4777134
3-(4-bromo-3-methylpyrazolyl)-N-cyclopentylpropanamide
CID 19584292
(2S)-2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide
CID 40441239
(3S)-4-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylpiperazin-2-one
CID 97601890
4-bromo-1-ethyl-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-5-carboxamide
CID 164630792
1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 164638326

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide (CID 4773007) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide is Cc1nn(C(C)C(=O)NC(C)CN2CCC(C)CC2)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide?
The InChIKey is IDNPWTKTXKABCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN4O/c1-11-5-7-20(8-6-11)9-12(2)18-16(22)14(4)21-10-15(17)13(3)19-21/h10-12,14H,5-9H2,1-4H3,(H,18,22).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide has a molecular weight of 371.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-methylpiperidin-1-yl)propan-2-yl]propanamide is sourced from PubChem (CID 4773007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).