N-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide

C22H21N5O2 — CID 1390898

IUPACN-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2cc(C(=O)NN=Cc3c[nH]c4ccccc34)[nH]n2)cc1
InChIInChI=1S/C22H21N5O2/c1-14(2)29-17-9-7-15(8-10-17)20-11-21(26-25-20)22(28)27-24-13-16-12-23-19-6-4-3-5-18(16)19/h3-14,23H,1-2H3,(H,25,26)(H,27,28)
InChIKeyUENXNXIKOQKZSP-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.11
Rot. Bonds6

About N-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide

N-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 1390898) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID1390898
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2cc(C(=O)NN=Cc3c[nH]c4ccccc34)[nH]n2)cc1
InChIInChI=1S/C22H21N5O2/c1-14(2)29-17-9-7-15(8-10-17)20-11-21(26-25-20)22(28)27-24-13-16-12-23-19-6-4-3-5-18(16)19/h3-14,23H,1-2H3,(H,25,26)(H,27,28)
InChIKeyUENXNXIKOQKZSP-UHFFFAOYSA-N
XLogP4.11
TPSA95.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.11
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-(4-butoxyphenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 136762097
N-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 1351696
3-(4-ethylphenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 135472845
3-(3,4-dichlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 135641952
3-(4-ethoxy-3-methoxyphenyl)-N-(1H-indol-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1390960
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
CID 136890839
N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide
CID 5001701
N-[(E)-1H-indol-3-ylmethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 86261450
N-[(E)-1H-indol-3-ylmethylideneamino]-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
CID 135641990
N-[(Z)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 136823985
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide (CID 1390898) is N-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide is CC(C)Oc1ccc(-c2cc(C(=O)NN=Cc3c[nH]c4ccccc34)[nH]n2)cc1.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is UENXNXIKOQKZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14(2)29-17-9-7-15(8-10-17)20-11-21(26-25-20)22(28)27-24-13-16-12-23-19-6-4-3-5-18(16)19/h3-14,23H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of N-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide?
N-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1390898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).