N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide

C14H18N4OS — CID 27484656

IUPACN-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)N/N=C\c2cnn(CC)c2)cs1
InChIInChI=1S/C14H18N4OS/c1-3-5-13-6-12(10-20-13)14(19)17-15-7-11-8-16-18(4-2)9-11/h6-10H,3-5H2,1-2H3,(H,17,19)/b15-7-
InChIKeyHDNLQZZTSXFJGW-CHHVJCJISA-N
MW290.39 g/mol
LogP2.68
Rot. Bonds6

About N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide

N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide (PubChem CID 27484656) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide
PubChem CID27484656
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)N/N=C\c2cnn(CC)c2)cs1
InChIInChI=1S/C14H18N4OS/c1-3-5-13-6-12(10-20-13)14(19)17-15-7-11-8-16-18(4-2)9-11/h6-10H,3-5H2,1-2H3,(H,17,19)/b15-7-
InChIKeyHDNLQZZTSXFJGW-CHHVJCJISA-N
XLogP2.68
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-bromo-N-[(1-ethylpyrazol-4-yl)methylideneamino]benzamide
CID 841368
N-[(Z)-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-propylthiophene-3-carboxamide
CID 27526851
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 8981368
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 8979934
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 8974554
4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 8980773
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide
CID 8982077
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 8981663
N-(1,2-oxazol-3-yl)-5-propylthiophene-3-carboxamide
CID 17217748
N-(2-amino-2-methylpropyl)-1-ethylpyrazole-4-carboxamide
CID 119627511
N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 8974541
5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide
CID 4062300

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide?
The IUPAC name of N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide (CID 27484656) is N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide.
What is the SMILES notation for N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide?
The canonical SMILES for N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide is CCCc1cc(C(=O)N/N=C\c2cnn(CC)c2)cs1.
What is the InChIKey of N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide?
The InChIKey is HDNLQZZTSXFJGW-CHHVJCJISA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-5-13-6-12(10-20-13)14(19)17-15-7-11-8-16-18(4-2)9-11/h6-10H,3-5H2,1-2H3,(H,17,19)/b15-7-.
What are the key properties of N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide?
N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide is sourced from PubChem (CID 27484656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).