N-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide

C27H23N5O2 — CID 126395714

IUPACN-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)CNc2cccc3ccccc23)o1
InChIInChI=1S/C27H23N5O2/c1-19-14-15-25(34-19)27-21(18-32(31-27)22-10-3-2-4-11-22)16-29-30-26(33)17-28-24-13-7-9-20-8-5-6-12-23(20)24/h2-16,18,28H,17H2,1H3,(H,30,33)/b29-16-
InChIKeyHNABABNNAVALNO-MWLSYYOVSA-N
MW449.51 g/mol
LogP5.16
Rot. Bonds7

About N-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide

N-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide (PubChem CID 126395714) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
PubChem CID126395714
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC NameN-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)CNc2cccc3ccccc23)o1
InChIInChI=1S/C27H23N5O2/c1-19-14-15-25(34-19)27-21(18-32(31-27)22-10-3-2-4-11-22)16-29-30-26(33)17-28-24-13-7-9-20-8-5-6-12-23(20)24/h2-16,18,28H,17H2,1H3,(H,30,33)/b29-16-
InChIKeyHNABABNNAVALNO-MWLSYYOVSA-N
XLogP5.16
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide
CID 6310712
N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974950
(NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 5337245
2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
CID 4641601
3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 818637
2-chloro-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 6899907
N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2,4-dinitroaniline
CID 3601951
ethyl N-[[3-(5-nitrofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]carbamate
CID 54432090
N-[2-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6026582
3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 6302659
N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tridecanamide
CID 2856899
N-[(Z)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 126397310

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide (CID 126395714) is N-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide is Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)CNc2cccc3ccccc23)o1.
What is the InChIKey of N-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is HNABABNNAVALNO-MWLSYYOVSA-N. The full InChI is InChI=1S/C27H23N5O2/c1-19-14-15-25(34-19)27-21(18-32(31-27)22-10-3-2-4-11-22)16-29-30-26(33)17-28-24-13-7-9-20-8-5-6-12-23(20)24/h2-16,18,28H,17H2,1H3,(H,30,33)/b29-16-.
What are the key properties of N-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
N-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 449.51 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 126395714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).