N-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide

C22H25N5O3 — CID 140548626

IUPACN-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCN2CCN(C(=O)c3ccco3)CC2)nn1-c1ccccc1
InChIInChI=1S/C22H25N5O3/c1-17-14-18(24-27(17)19-6-3-2-4-7-19)15-21(28)23-16-25-9-11-26(12-10-25)22(29)20-8-5-13-30-20/h2-8,13-14H,9-12,15-16H2,1H3,(H,23,28)
InChIKeyUSVYDFDPXPFPJJ-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.85
Rot. Bonds6

About N-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide

N-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide (PubChem CID 140548626) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide
PubChem CID140548626
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCN2CCN(C(=O)c3ccco3)CC2)nn1-c1ccccc1
InChIInChI=1S/C22H25N5O3/c1-17-14-18(24-27(17)19-6-3-2-4-7-19)15-21(28)23-16-25-9-11-26(12-10-25)22(29)20-8-5-13-30-20/h2-8,13-14H,9-12,15-16H2,1H3,(H,23,28)
InChIKeyUSVYDFDPXPFPJJ-UHFFFAOYSA-N
XLogP1.85
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide
CID 140548636
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 37376049
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 109019119
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 90508799
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 26495641
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134000256
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8004774
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide?
The IUPAC name of N-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide (CID 140548626) is N-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for N-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide is Cc1cc(CC(=O)NCN2CCN(C(=O)c3ccco3)CC2)nn1-c1ccccc1.
What is the InChIKey of N-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide?
The InChIKey is USVYDFDPXPFPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-17-14-18(24-27(17)19-6-3-2-4-7-19)15-21(28)23-16-25-9-11-26(12-10-25)22(29)20-8-5-13-30-20/h2-8,13-14H,9-12,15-16H2,1H3,(H,23,28).
What are the key properties of N-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide?
N-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide has a molecular weight of 407.47 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 140548626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).