N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide

C18H25BrN4O2 — CID 19416093

IUPACN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESCc1nn(CCCNC(=O)c2ccc(CN3CCCCC3)o2)cc1Br
InChIInChI=1S/C18H25BrN4O2/c1-14-16(19)13-23(21-14)11-5-8-20-18(24)17-7-6-15(25-17)12-22-9-3-2-4-10-22/h6-7,13H,2-5,8-12H2,1H3,(H,20,24)
InChIKeyMKLQRPWTMNSCRX-UHFFFAOYSA-N
MW409.33 g/mol
LogP3.35
Rot. Bonds7

About N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide

N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 19416093) has the molecular formula C18H25BrN4O2 and a molecular weight of 409.33 g/mol. Its IUPAC name is N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
PubChem CID19416093
Molecular FormulaC18H25BrN4O2
Molecular Weight409.33 g/mol
Exact Mass408.12
IUPAC NameN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESCc1nn(CCCNC(=O)c2ccc(CN3CCCCC3)o2)cc1Br
InChIInChI=1S/C18H25BrN4O2/c1-14-16(19)13-23(21-14)11-5-8-20-18(24)17-7-6-15(25-17)12-22-9-3-2-4-10-22/h6-7,13H,2-5,8-12H2,1H3,(H,20,24)
InChIKeyMKLQRPWTMNSCRX-UHFFFAOYSA-N
XLogP3.35
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416094
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414210
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride
CID 19415966
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19450633
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 19565638
4-[3-(4-bromo-3-methylpyrazol-1-yl)propylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500308
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylpyrazole-3-carboxamide
CID 19475447
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 19329993
N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416080
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylbutanamide
CID 19329804

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide (CID 19416093) is N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide is Cc1nn(CCCNC(=O)c2ccc(CN3CCCCC3)o2)cc1Br.
What is the InChIKey of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is MKLQRPWTMNSCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN4O2/c1-14-16(19)13-23(21-14)11-5-8-20-18(24)17-7-6-15(25-17)12-22-9-3-2-4-10-22/h6-7,13H,2-5,8-12H2,1H3,(H,20,24).
What are the key properties of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 409.33 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19416093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).