N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide

C23H23N5O2 — CID 135679725

IUPACN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCCOc1ccccc1-c1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)[nH]n1
InChIInChI=1S/C23H23N5O2/c1-3-12-30-22-11-7-5-9-17(22)20-13-21(27-26-20)23(29)28-24-14-18-15(2)25-19-10-6-4-8-16(18)19/h4-11,13-14,25H,3,12H2,1-2H3,(H,26,27)(H,28,29)/b24-14+
InChIKeyVWNXQTHFHXKUSX-ZVHZXABRSA-N
MW401.47 g/mol
LogP4.42
Rot. Bonds7

About N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide

N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 135679725) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID135679725
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCCOc1ccccc1-c1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)[nH]n1
InChIInChI=1S/C23H23N5O2/c1-3-12-30-22-11-7-5-9-17(22)20-13-21(27-26-20)23(29)28-24-14-18-15(2)25-19-10-6-4-8-16(18)19/h4-11,13-14,25H,3,12H2,1-2H3,(H,26,27)(H,28,29)/b24-14+
InChIKeyVWNXQTHFHXKUSX-ZVHZXABRSA-N
XLogP4.42
TPSA95.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135954578
3-(2-butoxyphenyl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136906005
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide
CID 136727560
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 136915601
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6900472
3-(3,4-dichlorophenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136915483
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135685456
3-(2-butoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135641959
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136820467
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6267995
3-(2-butoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6888513
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 3431156

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide (CID 135679725) is N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide is CCCOc1ccccc1-c1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)[nH]n1.
What is the InChIKey of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is VWNXQTHFHXKUSX-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-3-12-30-22-11-7-5-9-17(22)20-13-21(27-26-20)23(29)28-24-14-18-15(2)25-19-10-6-4-8-16(18)19/h4-11,13-14,25H,3,12H2,1-2H3,(H,26,27)(H,28,29)/b24-14+.
What are the key properties of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135679725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).